Journal articles on the topic 'Steroid crystals'
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Wolf, Steven M., Zachary M. Marsh, Steven M. Quarin, Kyung Min Lee, Sushma Karra, Michael E. McConney, Tod A. Grusenmeyer, and Nicholas P. Godman. "Investigating the Electro-Optic Response of Steroid Doped Liquid Crystal Devices." Applied Sciences 13, no. 8 (April 18, 2023): 5054. http://dx.doi.org/10.3390/app13085054.
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Nature is highly efficient at producing chiral compounds that are enantiomerically pure. The inherent chirality of naturally occurring biomolecules means that many have the potential to be used as chiral dopants for cholesteric liquid crystal (CLC) systems. Though many biomolecules have been identified as chiral dopants, many remain yet to be probed for their ability to function as chiral dopants. Here, 10 naturally occurring biomolecules comprised of steroids and bile acids were tested as chiral dopants for CLCs. Progesterone was identified as having high miscibility with nematic liquid crystals and was used in responsive liquid crystal devices. Progesterone-doped CLC devices were fabricated to exhibit either normal mode or reverse mode switchable behavior. Polymer stabilized CLCs (PSCLC) devices exhibiting dynamic electro-optic red- and blue-tuning behaviors were also fabricated. Furthermore, immiscible lithocholic acid was synthetically modified to afford two derivatives that were miscible at 10 wt. % in nematic liquid crystals. The two lithocholic acid derivatives were used as chiral dopants and incorporated into polymer stabilized CLCs which exhibited blue tuning behavior.
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Bhadu, D., S. Vyas, and U. Kumar. "THU0415 MELTING OF TOPHI WITH LOCAL STEROIDS IN CHRONIC TOPHACEOUS GOUT: AN OBSERVATIONAL STUDY." Annals of the Rheumatic Diseases 79, Suppl 1 (June 2020): 445. http://dx.doi.org/10.1136/annrheumdis-2020-eular.2918.
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Background:Chronic tophaceous gout is usually difficult to treat with urate lowering therapy (ULT) [1]. Faster resolution of tophi has been seen with use of pegloticase [2], but this drug is costly and not widely available. Local steroid use is recommended in acute gouty arthritis but its role in reduction of tophi has not been studied. This study was aimed to see the effect of local steroids in tophi resolution.Objectives:To study the change in size of gouty tophi with local steroid injection compared to conventional treatment.Methods:Four crystal proven chronic tophaceous gout patients with multiple tophi were screened and enrolled in the study after taking informed consent. Total 12 tophi in 4 patients were imaged by using Duel Energy Computed Scan (DECT) for their size and volume. All 4 patients were treated with ULT as per recommended dose to achieve target serum uric acid (SUV) level. Six tophi were treated with local steroids injection (methylprednisolone acetate) at two months interval till complete resolution of tophi. Dose of steroid varied from 10 mg to 40 mg depending upon tophi size but subsequent repeat doses were same in each tophi. Six tophi not treated with local steroid served as internal control in the same patients. All 4 patients were followed up regularly in out-patient department to monitor treatment response and local side effects if any.Results:All 4 patients achieved target SUV (<356 µmol/L) at three months of follow up. Six tophi which were treated with local steroids injection clinically had marked reduction in size at 7-12 months of follow up [Table-1], while other 6 tophi which served as internal control had no clinically significant change in size and volume of tophi. DECT was repeated in the same settings to confirm the clinical findings. DECT revealed near complete resolution of 5 tophi [Image-1], and 50% reduction in size of one tophi. Six tophi which were not treated with local steroid had no significant reduction in size in DECT as well. Only side effect noted was skin discoloration in 5 out of 6 injected sites, none of the tophi had infection.Conclusion:Interestingly this is the first such study to document the use of local steroid in tophi. Thus intralesional steroids can be alternative to pegloticase or surgery where faster dissolution of tophi is required. This observation needs to be explored in large number of patients to calculate the total dose requirement of steroid as per volume and urate burden of tophi. Possible explanation of melting tophi with steroids is breaking down outer fibrous layer of tophi by local steroids which might be acting as barrier in dissolution of urate crystals with ULT.References:[1]Dalbeth N, House ME, Horne A et al. Prescription and dosing of urate-lowering therapy, rather than patient behaviours, are the key modifiable factors associated with targeting serum urate in gout.BMC Musculoskelet Disord2012;13:174[2]Baraf HS, Becker MA, Gutierrez-Urena SR, et al: Tophus burden reduction with pegloticase: results from phase 3 randomized trials and open-label extension in patients with chronic gout refractory to conventional therapy. Arthritis Res Ther 15:R137, 2013Table 1.Age/sexTotal TophiTreated TophiOutcome of treated tophiInternal control tophiDuration in monthsCase 122/M21Near complete resolutionNo Change 7Case 245/F11Complete resolutionNA 8Case 358/M52Near complete resolutionNo change12Case 424/M42Completely resolved=1,50% size reduction=1No change12Figure 1a: DECT of Rt foot shows urate crystal deposition at 1stMTP joint and 5thtoe. Figure1b: DECT after 7 months of steroid injection in Rt 1stMTP joint tophi shows almost complete resolution but no change in 5thtoe tophi (served as internal control).Disclosure of Interests: :None declared
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Frampton, Christopher S., and David D. MacNicol. "Structure of Equilenin at 100 K: an estrone-related steroid." Acta Crystallographica Section E Crystallographic Communications 73, no. 8 (July 21, 2017): 1223–26. http://dx.doi.org/10.1107/s2056989017010532.
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The structure of the estrone-related steroid, Equilenin, C18H18O2 (systematic name 3-hydroxy-13-methyl-11,12,13,14,15,16-hexahydrocyclopenta[a]phenanthren-17-one), has been determined at 100 K. The crystals are orthorhombic, P212121, and the absolute structure of the molecule in the crystal has been determined by resonant scattering [Flack parameter = −0.05 (4)]. The C atoms of the A and B rings are almost coplanar, with an r.m.s. deviation from planarity of 0.0104 Å. The C ring has a sofa conformation, while the D ring has an envelope conformation with the methine C atom as the flap. The keto O atom and the methyl group are translated 0.78 and 0.79 Å, respectively, from the equivalent positions on 17β-estrone. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains parallel to the c-axis direction.
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Fábián, László, Gyula Argay, Alajos Kálmán, and Mária Báthori. "Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality." Acta Crystallographica Section B Structural Science 58, no. 4 (July 30, 2002): 710–20. http://dx.doi.org/10.1107/s0108768102005608.
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Three crystal forms of the steroid 20-hydroxyecdysone were identified by single-crystal X-ray diffraction analysis: a solvent-free modification, a methanol solvate hydrate and a trihydrate. The structure of a closely related steroid, polypodine B (the 5,20-dihydroxy derivative of ecdysone), was determined in its monohydrate form. Since the unit-cell volume of unsolvated 20-hydroxyecdysone was found to be considerably smaller than that of ecdysone [Huber & Hoppe (1965). Chem. Ber. 98, 2403–2424], a new structure determination of ecdysone was performed, which confirmed the unexpected difference between the unit-cell volumes. The crystals of ecdysone and 20-hydroxyecdysone are isostructural, while the mixed solvate of 20-hydroxyecdysone is homostructural with the hydrate of polypodine B. A detailed analysis of the hydrogen-bond networks in these closely related crystal pairs highlights their packing similarities, demonstrates the role of solvent molecules, and explains the unexpectedly small cell volume of 20-hydroxyecdysone.
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Grishkovskaya, Irina, Gisela Sklenar, George V. Avvakumov, David Dales, Joachim Behlke, Geoffrey L. Hammond, and Yves A. Muller. "Crystallization of the N-terminal domain of human sex hormone-binding globulin, the major sex steroid carrier in blood." Acta Crystallographica Section D Biological Crystallography 55, no. 12 (December 1, 1999): 2053–55. http://dx.doi.org/10.1107/s0907444999012883.
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The amino-teminal laminin G-like domain of human sex hormone-binding globulin (SHBG), which contains the steroid-binding site and the dimerization domain, has been produced in Escherichia coli, purified to homogeneity and crystallized in complex with 5α-dihydrotestosterone (DHT) in two different crystal forms. Native data sets have been collected for tetragonal crystals (space group P4122 or P4322; unit-cell parameters a = 52.2, c = 148.4 Å) diffracting to 3.3 Å and trigonal crystals (R32; a = 104.0, c = 84.4 Å) diffracting to better than 1.6 Å. Since both crystal forms can only accommodate a single monomer in the asymmetric unit and share twofold rotational symmetry, it is proposed that the homodimer of this truncated form of SHBG, as observed in ultracentrifugation experiments, displays C 2 point-group symmetry.
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Rychlewska, Urszula, Beata Warżajtis, Roman Joachimiak, and Zdzisław Paryzek. "Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments." Acta Crystallographica Section B Structural Science 64, no. 3 (May 15, 2008): 383–92. http://dx.doi.org/10.1107/s0108768108006514.
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Reported in this paper are the syntheses and X-ray investigations of C 2 symmetrical molecular A—B—A triads consisting of two steroid units (lithocholic acid or its methyl ester) joined together by linkers derived from bifunctional molecules such as terephthalic acid or N,N′-dicarboxypiperazine. Unlike their monomeric analogues, some of these compounds form inclusion complexes. All steroidal triads form crystals that are highly pseudo-centrosymmetric, in which the constituting molecules are held together either exclusively by van der Waals forces or form lattice inclusion complexes, with guest molecules hydrogen bonded to the host. The presence of carboxyl groups promotes the inclusion of pyridine molecules and the formation of the well known carboxylic acid...pyridine hydrogen bonds. Combined with pairwise face-to-face π-stacking between pyridine rings, these hydrogen-bond interactions lead to the formation of extended supramolecular tapes, analogous to polymers. The co-crystals of pyridine and a lithocholic acid triad undergo a symmetry-lowering phase transition from a P1 cell with Z = 1 to a P1 cell with Z = 2. The two structures are virtually the same, the two independent molecules in the larger cell being related by pseudo-translation. Changes in the type of spacer between two methyl lithocholate units from planar aromatic (terephthalic acid) to highly puckered aliphatic six-membered ring (N,N′-dicarboxypiperazine) bring about inclusion properties and changes in side-chain conformation in a crystal. Although the efficient packing of these highly elongated molecules is hindered, as indicated by low values of crystal density, ranging from 1.16 to 1.19 g cm−3, several very short C...O and H...H contacts are present in the crystals.
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Tsoi, Kevin, and Rod Hughes. "An unusual case of steroid responsive idiopathic ectopic calcification." Oxford Medical Case Reports 2019, no. 11 (November 1, 2019): 466–68. http://dx.doi.org/10.1093/omcr/omz108.
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Abstract This case explores an unusual calcified lesion of the hand and its dramatic response to steroids. A 30-year-old lady presented to rheumatology with a 1-year history of swelling on the radial side of her right middle metacarpophalangeal joint. Over a 2-week period, she had developed swelling throughout her right hand. She was treated with intramuscular methylprednisolone injection and a weaning course of prednisolone. A series of photos and X-rays demonstrates the resolution of swelling and calcification after steroid treatment. This case reports a chronic calcified mass associated with an acute inflammatory episode in the hand. This is likely to represent rupture of a calcific deposit with the release of crystals into the soft tissue. While there is prior literature on treatment with bisphosphonates or surgery, a fast and complete response to modest dose steroids suggests that this would be the first treatment to try in such a case.
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Turza, Alexandru, Maria O. Miclăuș, Aurel Pop, and Gheorghe Borodi. "Crystal and molecular structures of boldenone and four boldenone steroid esters." Zeitschrift für Kristallographie - Crystalline Materials 234, no. 10 (October 25, 2019): 671–83. http://dx.doi.org/10.1515/zkri-2019-0030.
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Abstract Androsta-1,4-dien-17β-ol-3-one, also known as boldenone, is an anabolic-androgenic steroid derived from testosterone. The crystal structures of boldenone base, boldenone acetate, boldenone propionate, boldenone cypionate and a boldenone acetate polymorph obtained by high throughput screening were investigated. Hirshfeld surfaces and fingerprint plots breakdown revealed that the molecular packing in the crystals are driven by dominant H⋯H intermolecular contacts, followed by O⋯H/H⋯O contacts and to a lesser degree C⋯H/H⋯C contacts. The steroid skeleton rings, for all the reported compounds, adopt the following conformation: planar in A, chair in B and C, whereas C(13) envelope conformations are found for the five-membered D rings. The total lattice energies were calculated as a sum of four terms (Coulombic, polarization, dispersion, repulsion).
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Sara, Katti Blessi, Rajan Sundaresan Vediappan, J. Prabaakharan, and Regi Thomas. "Primary Radical Extended Sinus Surgery for Management of Extensive Allergic Fungal Rhinosinusitis." Current Medical Issues 22, no. 3 (June 26, 2024): 158–63. http://dx.doi.org/10.4103/cmi.cmi_3_24.
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Introduction: Allergic fungal rhinosinusitis (AFRS), a subset of sinusitis secondary to hypersensitivity, is clinically similar to chronic rhinosinusitis with nasal polyp but histologically different with rich eosinophils and Charcot Leyden crystals. Since the primary pathology in AFRS is immune mediated, the recurrence rates are high. In this study, we describe the application of radical extended sinus surgery (RESS) as the surgical technique with the usage of postoperative high-volume steroidal nasal irrigation and short-term oral steroid therapy – a threefold strategy – for the prevention of recurrence of this disease. Materials and Methods: A retrospective surgical chart audit of patients diagnosed with AFRS and treated between January 2012 and December 2019 was done. The clinical findings and postoperative outcomes performed by a single senior surgeon in a tertiary referral institution were extracted and analyzed. Results: Of the 17 patients, 88% of patients were immunocompetent and Lund Mackay (LM) of 24, 16 patients had Grade 3 nasal polyps, except one with Grade 1 nasal polyps and an LM score of 8. All patients underwent RESS and received postoperative high-volume topical steroid irrigation with oral steroids in the immediate postoperative period and on follow-up, if recurrence was noted, none required revision surgery. Conclusions: A three-fold strategy is beneficial in the management of AFRS-RESS followed by oral steroids during the immediate postoperative period along with long-term topical high-volume steroid nasal irrigation.
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Vicatos, Alexios I., Zakiena Hoossen, and Mino R. Caira. "Inclusion complexes of the steroid hormones 17β-estradiol and progesterone with β- and γ-cyclodextrin hosts: syntheses, X-ray structures, thermal analyses and API solubility enhancements." Beilstein Journal of Organic Chemistry 18 (December 22, 2022): 1749–62. http://dx.doi.org/10.3762/bjoc.18.184.
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Overcoming the challenges of poor aqueous solubility of active pharmaceutical ingredients (APIs) is necessary to render them bioavailable. This study addresses the poor solubility of two potent steroid hormones, 17β-estradiol (BES) and progesterone (PRO), via their complexation with two water-soluble native cyclodextrins (CDs) namely β-CD and γ-CD. The hydrated inclusion complexes β-CD·BES, β-CD·PRO, γ-CD·BES and γ-CD·PRO were prepared via kneading and co-precipitation, and 1H NMR spectroscopic analysis of solutions of their pure complex crystals yielded the host–guest stoichiometries 2:1, 2:1, 1:1 and 3:2, respectively. Both powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction (SCXRD) were employed for focused studies of the isostructurality of the CD complexes with known complexes and structural elucidation of the new complexes, respectively. SCXRD analyses of β-CD·BES, β-CD·PRO and γ-CD·PRO at 100(2) K yielded the first crystal structures of CD complexes containing the hormones BES and PRO, while the complex γ-CD·BES was readily shown to be isostructural with γ-CD·PRO by PXRD. Severe disorder of the encapsulated steroid molecules in the respective channels of the CD molecular assemblies was evident, however, preventing their modelling, but combination of the host–guest stoichiometries and water contents of the four hydrated inclusion complexes enabled accurate assignment of the chemical formulae of these ternary systems. Predicted electron counts for the complexed molecules BES and PRO correlated reasonably well with the complex compositions indicated by 1H NMR spectroscopy. Subsequent measurements of the aqueous solubilities of the four complexes confirmed significant solubility improvements effected by encapsulation of the steroids within the CDs, yielding solubility enhancement factors for BES and PRO in the approximate range 5–20.
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Szyczewski, A. "EPR/ENDOR investigations of γ-irradiated steroid hormone single crystals." Applied Radiation and Isotopes 47, no. 11-12 (November 1996): 1675–81. http://dx.doi.org/10.1016/s0969-8043(96)00234-5.
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González Rojas, Pedro Pablo, Jonathan Restrepo Pérez Restrepo, and Juan Felipe Mantilla Hernández. "Síndrome de la apófisis odontoides coronada, una manifestación inusual de dolor cervical. Presentación de un caso." Revista de la Facultad de Medicina 63, no. 3 (May 10, 2020): 23–25. http://dx.doi.org/10.22201/fm.24484865e.2020.63.3.04.
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The calcium pyrophosphate dehydrate (CPPD) or hydroxyapatite (HA) crystal deposition disease can appear in any joint and the accumulation fo crystals in the cervical spine may be painful. Crowned dens syndrome is a rare clinical condition that involves crown-like calcification of the ligaments around the odontoid process. A 70-year-old man presented cervical pain, fever and a headache for over a week, therefore, a neurological condition was suspected. A CT scan revealed lentiform calcifications of the transverse ligament of the atlas. Steroid treatment and a non-steroidal anti-inflammatory diminished the symptoms. A proper clinical history and imaging studies avoid unnecessary procedures and makes it possible to include this entity as a differential diagnosis in acute cervical pain. Key words: Crystal deposition disease; acute cervical pain; crowned dens syndrome; Odontoid process
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Asthana, Deepak, Sudhir K. Keshri, Geeta Hundal, Gyaneswar Sharma, and Pritam Mukhopadhyay. "Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution." CrystEngComm 16, no. 22 (2014): 4861–66. http://dx.doi.org/10.1039/c4ce00013g.
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Gul, Muhammad Tayyab, Norhayati Muhammad, Aslia Natasha Pauzi, Mohd Fadzelly Abu Bakar, Balkis A. Talip, Norazlin Abdullah, Nur Fazira Abdul Rahim, et al. "Evaluation of Phyllanthus niruri L. from Malaysia for In-vitro Anti-Urolithiatic Properties by Different Solvent Extraction." Biological Sciences - PJSIR 64, no. 1 (March 3, 2021): 81–86. http://dx.doi.org/10.52763/pjsir.biol.sci.64.1.2021.81.86.
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The Phyllanthus niruri is traditionally used for curing of kidney disorders and urinary stones in Malaysia. Hence the current work was aimed to evaluate the effect of different solvents extract (n- hexane, ethyl acetate, methanol and water) of P. niruri for in vitro anti-urolithiatic properties in terms of inhibition activity on CaOx by using the rate of CaOx aggregation assay and dissolution of calcium oxalate (CaOx) crystal by using titrimetry method. Cystone was used as positive control. The effects of cystone on slope of nucleation and aggregation as well as growth of CaOx were evaluated spectrophotometrically. The highest yield percentage of P.niruri was occupied by methanol (5.74 %). The maximum inhibition against aggregation of CaOx crystals was also occupied by methanol (66.67 % ± 1.61) and was comprised with alkaloid, steroid, terpenoid and tannin. Dissolution effect on calcium oxalate crystals indicates that the aqueous extracts of P. niruri was found to be more effective in dissolution of CaOx with 63.33 % ± 1.44. P. niruri significantly (P < 0.05) inhibited the slope of nucleation and aggregation of CaOx crystallization, and reduced the crystal density. The results of the present study confirmed that P. niruri leaves can be used as remedial mediator for urolithiasis. However, further studies are required for isolation and identification of active constituents and their in-vivo confirmation.
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Gomes, Ana R., Ana S. Pires, Fernanda M. F. Roleira, and Elisiário J. Tavares-da-Silva. "The Structural Diversity and Biological Activity of Steroid Oximes." Molecules 28, no. 4 (February 10, 2023): 1690. http://dx.doi.org/10.3390/molecules28041690.
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Steroids and their derivatives have been the subject of extensive research among investigators due to their wide range of pharmacological properties, in which steroidal oximes are included. Oximes are a chemical group with the general formula R1R2C=N−OH and they exist as colorless crystals and are poorly soluble in water. Oximes can be easily obtained through the condensation of aldehydes or ketones with various amine derivatives, making them a very interesting chemical group in medicinal chemistry for the design of drugs as potential treatments for several diseases. In this review, we will focus on the different biological activities displayed by steroidal oximes such as anticancer, anti-inflammatory, antibacterial, antifungal and antiviral, among others, as well as their respective mechanisms of action. An overview of the chemistry of oximes will also be reported, and several steroidal oximes that are in clinical trials or already used as drugs are described. An extensive literature search was performed on three main databases—PubMed, Web of Science, and Google Scholar.
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Fatima, Syeda Saima, Rajesh Kumar, M. Iqbal Choudhary, and Sammer Yousuf. "Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity." IUCrJ 7, no. 1 (January 1, 2020): 105–12. http://dx.doi.org/10.1107/s2052252519016142.
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Co-crystallization is a phenomenon widely employed to enhance the physio-chemical and biological properties of active pharmaceutical ingredients (APIs). Exemestane, or 6-methylideneandrosta-1,4-diene-3,17-dione, is an anabolic steroid used as an irreversible steroidal aromatase inhibitor, which is in clinical use to treat breast cancer. The present study deals with the synthesis of co-crystals of exemestane with thiourea by liquid-assisted grinding. The purity and homogeneity of the exemestane–thiourea (1:1) co-crystal were confirmed by single-crystal X-ray diffraction followed by thermal stability analysis on the basis of differential scanning calorimetry and thermogravimetric analysis. Detailed geometric analysis of the co-crystal demonstrated that a 1:1 co-crystal stoichiometry is sustained by N—H...O hydrogen bonding between the amine (NH2) groups of thiourea and the carbonyl group of exemestane. The synthesized co-crystal exhibited potent urease inhibition activity in vitro (IC50 = 3.86 ± 0.31 µg ml−1) compared with the API (exemestane), which was found to be inactive, and the co-former (thiourea) (IC50 = 21.0 ± 1.25 µg ml−1), which is also an established tested standard for urease inhibition assays in vitro. The promising results of the present study highlight the significance of co-crystallization as a crystal engineering tool to improve the efficacy of pharmaceutical ingredients. Furthermore, the role of various hydrogen bonds in the crystal stability is successfully analysed quantitatively using Hirshfeld surface analysis.
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McEwan, Iain J. "From Antibodies to Crystals: Understanding the Structure of the Glucocorticoid Receptor and Related Proteins." Receptors 2, no. 3 (July 3, 2023): 166–75. http://dx.doi.org/10.3390/receptors2030011.
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The steroid/thyroid hormone or nuclear receptor superfamily is quickly approaching its 40th anniversary. During this period, we have seen tremendous progress being made in our understanding of the mechanisms of action of these physiologically important proteins in the field of health and disease. Critical to this has been the insight provided by ever more detailed structural examination of nuclear receptor proteins and the complexes they are responsible for assembling on DNA. In this article, I will focus on the contributions made by Jan-Åke Gustafsson and colleagues at the Karolinska Institute (Sweden) and, more recently, the University of Houston (USA), to this area of nuclear receptor research.
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Saxena, Rushali, Smita Singh, and Kiran Agarwal. "Steroid Cell Tumor NOS and Xanthogranulomatous Oophoritis: A Rare Association Mimicking Ovarian Malignancy." Annals of Pathology and Laboratory Medicine 10, no. 8 (December 7, 2023): C126–131. http://dx.doi.org/10.21276/apalm.3272.
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Steroid cell tumor, NOS is an infrequently reported ovarian tumor, rarely presenting without endocrine symptoms. Xanthogranulomatous inflammation of ovaries is an extremely rare finding which often mimics malignancy on imaging. This case report presents a unique co-incidental finding of these two rare entities as incidental findings. A 44 year old female with previous history of total abdominal hysterectomy for leiomyoma presented with abdominal discomfort. Clinical examination revealed bilateral adnexal mass. Imaging suggested a possibility of bilateral ovarian mucinous cystadenocarcinoma. CEA, CA19-9 and CA125 were within normal limit. No signs and symptoms of endocrine manifestation were seen. Bilateral salpingo-oophorectomy specimen was sent for histopathological examination. Grossly, Left ovary showed a single yellow nodule measuring 1cm in diameter. Right ovary showed a gray tan cut surface. Microscopic examination revealed a left ovarian nodule composed of diffuse sheet of large tumor cell with abundant eosinophilic cytoplasm, round nucleus with a prominent nucleolus in a background of extensive vascular congestion. No reinke crystals, mitosis, necrosis, hemorrhage or nuclear atypia was seen. The tumor cells were immunopositive for Vimentin, Pan CK and Inhibin. Adjacent left ovarian stroma and right ovary showed features suggestive of XI. A diagnosis of Steroid cell tumor, NOS with xanthogranulomatous oophoritis was offered. Steroid cell tumor and xanthogranulomatous oophoritis, both are rare entities which may mimic malignancy. Awareness of these entities alone or in combination allows a clinician to avoid radical surgeries in such cases.
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Dietvorst, Martijn, Ramon Roerdink, Alexander C. A. P. Leenders, Menno A. Kiel, and L. Paul A. "Acute Mono-Arthritis of the Knee: A Case Report of Infection with Parvimonas Micra and Concomitant Pseudogout." Journal of Bone and Joint Infection 1, no. 1 (October 1, 2016): 65–67. http://dx.doi.org/10.7150/jbji.16124.
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Abstract. Parvimonas micra is a rare pathogen for septic arthritis and is known for its subacute onset. We report a case of acute arthritis of the knee caused by P. micra and pseudogout. Initially, calcium pyrophosphate crystals were found in the knee, which were successfully treated with a steroid injection. Only anaerobic cultures became positive. A 16S rRNA PCR-analysis was necessary to identify P. micra as causative agent, a method which is never described before in similar cases. The infection was treated with clindamycin for 6 weeks. This is the third case report of a septic arthritis caused by P. micra and the second which also reports concomitant pseudogout.
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Siegal, Daniel S., Jim S. Wu, Joel S. Newman, Jose L. del Cura, and Mary G. Hochman. "Calcific Tendinitis: A Pictorial Review." Canadian Association of Radiologists Journal 60, no. 5 (December 2009): 263–72. http://dx.doi.org/10.1016/j.carj.2009.06.008.
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Calcific tendinitis is caused by the pathologic deposition of calcium hydroxyapatite crystals in tendons and is a common cause of joint pain. The disease typically affects the shoulder and hip, with characteristic imaging findings; however, any joint can be involved. Occasionally, calcific tendinitis can mimic aggressive disorders, such as infection and neoplasm, especially on magnetic resonance imaging. Radiologists should be familiar with the imaging findings to distinguish calcific tendinitis from more aggressive processes. Image-guided percutaneous needle aspiration and steroid injection of calcific tendinitis are useful techniques performed by the radiologist for the treatment of symptomatic cases. Familiarity with these procedures and their imaging appearance is an important aspect in the management of this common disease.
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Koo, John, and Gregory D. Deans. "A Rare Case of Burkholderia cepacia Complex Septic Arthritis." Case Reports in Infectious Diseases 2018 (September 16, 2018): 1–3. http://dx.doi.org/10.1155/2018/6232760.
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Bacteria of the Burkholderia cepacia complex have rarely been reported to cause septic arthritis. Cases have been reported in patients who were immunocompromised, at extremes of age or who had history of steroid injection or penetrating trauma. A 67-year-old man with a history of opioid use disorder, osteoarthritis, and gout but no known immunocompromise was admitted to hospital with pain and swelling of his right knee. Cultures of synovial fluid and urine grew Burkholderia cepacia complex. Microscopy of synovial fluid also identified intracellular calcium pyrophosphate crystals. The patient’s symptoms improved with joint irrigation and debridement and prolonged antimicrobial therapy. This case highlights the importance of diagnostic aspiration of an acutely inflamed joint to obtain a specific etiological diagnosis.
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Xiong, Jing, Dezhong Xu, Hui Zhang, Yan Shi, Xiangxiang Wu, and Sicen Wang. "Improving the Solubility and Bioavailability of Progesterone Cocrystals with Selected Carboxylic Acids." Pharmaceutics 16, no. 6 (June 16, 2024): 816. http://dx.doi.org/10.3390/pharmaceutics16060816.
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Progesterone (PROG) is a natural steroid hormone with low solubility and high permeability that belongs to biopharmaceutics classification system class II. In this study, novel pharmaceutical cocrystals of PROG were successfully prepared by solvent evaporation or a liquid-assisted grinding process aimed at enhancing its solubility and bioavailability. The cocrystal formers selected based on crystal engineering principles were carboxylic acids, namely, 4-formylbenzeneboronic acid (BBA), isophthalic acid (IPA), and 3-nitrophthalic acid (NPA). The cocrystal structures were characterized using multiple techniques. Single-crystal X-ray diffraction results showed that the carbonyl group, acting as a hydrogen bond acceptor, was pivotal in the cocrystal network formation, with C–H···O interactions further stabilizing the crystals. The cocrystals exhibited improved solubility and dissolution profiles in vitro, with no significant changes in hygroscopicity. The parallel artificial membrane permeability assay (PAMPA) models indicated that the cocrystals retained PROG’s high permeability. Pharmacokinetic studies in Sprague–Dawley rats revealed that all cocrystals increased PROG exposure, with AUC(0~∞) values for PROG−BBA, PROG−IPA, and PROG−NPA being 742.59, 1201.72 and 442.67 h·ng·mL−1, respectively. These values are substantially higher compared to free PROG, which had an AUC(0~∞) of 301.48 h·ng·mL−1. Notably, PROG−IPA provided the highest AUC improvement, indicating a significant enhancement in bioavailability. Collectively, the study concludes that the cocrystal approach is a valuable strategy for optimizing the physicochemical properties and oral bioavailability of PROG, with potential implications for the development of other poor water-soluble drugs.
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Okmanov, R. Ya, M. M. Makhmudova, I. D. Bobaev, and B. Tashkhodjaev. "Withanolides from Physalis angulata L." Acta Crystallographica Section E Crystallographic Communications 77, no. 8 (July 16, 2021): 804–8. http://dx.doi.org/10.1107/s205698902100709x.
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The compounds (17S,20R,22R,24R,25S)-5β,6β:20,24-diepoxy-4β,25-dihydroxy-1-oxowith-2-en-26,22-olide and (20R,22R)-5α,14α,20-Trihydroxy-1-oxo-6α,7α-epoxywitha-2-enolide were isolated from a chloroform extract of the aerial parts of Physalis angulata L. (Solanaceae). Two products were isolated from the chromatographic separation extract. Compound I corresponds to physangulide B chloroform monosolvate, C28H38O7·CHCl3, while compound II is 14α-hydroxyixocarpanolide, C28H40O7. In the two molecular structures, the conformation of the steroid part (rings A, B, C, D) does not differ. In both crystals, molecules are linked by intermolecular O—H...O hydrogen bonds along the c-axis direction and form a two-dimensional network parallel to the ac plane. The absolute configuration was determined from X-ray diffraction data.
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LUQUE CUBA, Edith Jacqueline, Freddy GARCIA RAMOS, Adolfo RECHKEMMER PRIETO, José SOLIS VILLANUEVA, Luz ROSAS VARGAS, Oscar CASTILLO SAYAN, Elba RODRIGUEZ LAY, et al. "Tumor de células esteroideas de ovario: Reporte de un caso." Revista Medica Herediana 16, no. 1 (December 19, 2012): 80. http://dx.doi.org/10.20453/rmh.v16i1.867.
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The suggestive clinical characteristics of hyperandrogenism are very common problems in women and have been related with excessive androgen production from ovaries, suprarenal glands or both. The most common identifiable cause of androgen excess is the polycystic ovary syndrome. The virilizing tumors are rare. We report the case of a postmenopausal women with virilizing signs and a left anexial mass. Testosterone 4.3ng/mL (0.2-0.95); DHEAS 56ug/dL (35-430); androstenedione: 10ng/ml (0.4-2.7); Cortisol 16ug/dL. Testosterone post dexamethasone suppression test 3.5ng/mL. Ovarian steroid cell tumors secrete great quantities of testosterone or androstenedione and differ from Leydig cell tumors in that they lack crystals of Reinke. Usually, they are benign, but 20% of malignancy has been reported. They can produce different substances. The election treatment is oophorectomy. As in our patient, the androgens levels are normalized after surgery.
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Kazymyrko, V. K., L. M. Ivanitska, T. S. Silantieva, and V. V. Kutovyi. "UNIVERSAL THEORY OF ATHEROSCLEROSIS PATHOGENESIS." Likarska sprava, no. 7-8 (December 31, 2019): 3–12. http://dx.doi.org/10.31640/jvd.7-8.2019(1).
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The paper shows that atherosclerosis results from disturbed cholesterol homeostasis in the body, the development of systemic stromal-vascular lipid-protein dystrophy (or lipidosis, or cholesterolosis) complicated by extracellular focal lipid deposits with a predominant cholesterol in the interstitial tissue of the inner arterial and aortic layer. These deposits are foreign to this body tissue. They induce the development of chronic productive granulomatous inflammation in it – granulomatosis around endogenous foreign bodies. Cholesterol deposition is promoted by a positive cholesterol balance in the body; increased permeability of the endothelium in hemodynamically vulnerable parts of the arteries, where blood components, including LP, infiltrate their wall; a lack of hydrolytic enzymes in the cell lysosomes that could destroy the steroid nucleus of the cholesterol molecule. Being essential for each specific organism (for building membranes, the formation of bile acids, the synthesis of steroid hormones, vitamin D3), cholesterol, if exceeded, can increase the probability of developing atherosclerosis. Genetic mechanisms are implicated in the disturbed lipid protein metabolism in the human body. Hyperlipoproteinemias (HLPs) are known to be the most common metabolic disorders. The dystrophy under consideration results from primary HLP types IIa, IIb, III, IV, V, as well as secondary HLPs in patients with various medical conditions associated with an increase in blood LDL and / or VLDL and/or a decrease in HDL. A reduced cholesterol efflux from peripheral tissues due to a decreased HDL content and the development of lipidosis are seen in diabetes, obesity, physical inactivity, stress, puberty, menopause, hypertriglyceridemia, cigarette smoking, uremia, treatment with anabolic steroids, beta-adrenergic blocking agents, gestagens, and the use of contraceptives. The most pronounced manifestations of dystrophy are characteristic of HLP types IIA, IIb, III, but its moderate development complicated by atherosclerosis also occurs in types IV and V, which are accompanied by increased blood VLDL. Mutations of LDL receptor genes, apoprotein genes lead to the development of stromal vascular dystrophy and atherosclerosis. A number of rare genetic disorders of sterol metabolism accompany impaired metabolism of cholesterol and its esters: hepatic lipase deficiency (with accumulation of VLDL and IDLs); a deficiency in lysosomal hydrolase of cholesterol esters with impaired LDL metabolism (Wolman disease); cholesterol ester accumulation disease; cerebrotendinous xanthomatosis; cerebral cholesterolosis; Toichlander and Hand Schüler Christian syndromes. The main factor contributing to the development of inflammation in the inner vascular wall of arteries and aorta in atherosclerosis is the cyclic hydrocarbonic structure of cholesterol, which cannot be cleaved in the lysosomes of MPs. The leading role of the cyclic hydrocarbonic structure of cholesterol, which is insoluble and indestructible by MPs, in the induction of atherosclerosis-related inflammation is confirmed by the fact of the atherogenic action of cholesterol derivatives having its structure. An important factor in inflammatory morphogenesis is the lipoprotein dyscolloidosis occurring in the arterial intima and the physical and chemical metamorphosis of cholesterol. A colloidal solution, solid crystals of free cholesterol and liquid crystals of cholesterol esters have a pronounced phlogogenic and sclerogenic effect on the interstitial tissue of the arterial intima.
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Ikegami, Kazuhiko, Yoshiaki Kawashima, Hirofumi Takeuchi, Hiromitsu Yamamoto, Nobuyuki Isshiki, Den-ichi Momose, and Kiyohisa Ouchi. "Simultaneous particulate design of primary and agglomerated crystals of steroid by spherical agglomeration in liquid for dry powder inhalation." Powder Technology 130, no. 1-3 (February 2003): 290–97. http://dx.doi.org/10.1016/s0032-5910(02)00207-3.
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Vorontsova, Svetlana K., Igor V. Zavarzin, Valerii Z. Shirinian, Eugene I. Bozhenko, Olga E. Andreeva, Danila V. Sorokin, Alexander M. Scherbakov, and Mikhail E. Minyaev. "Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer." CrystEngComm 24, no. 11 (2022): 2089–99. http://dx.doi.org/10.1039/d1ce01417j.
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Crystal structures of D-annulated steroids were used for docking studies against the human androgen receptor. The combination of the selected steroid with bicalutamide was found to exhibit significant antiproliferative effects in 22Rv1 cells.
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Lequin, R. M., A. van den Boogaard, J. Vermeulen, and M. Danhof. "Progesterone in saliva: pitfalls and consequent implications for accuracy of the determination." Clinical Chemistry 32, no. 5 (May 1, 1986): 831–34. http://dx.doi.org/10.1093/clinchem/32.5.831.
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Abstract The concentration of steroid hormones in saliva is believed to reflect the concentration of free hormone in blood. Because the assay for progesterone in saliva has not been rigorously validated, we investigated some of the analytical variables involved. Saliva samples were divided into two portions. One was centrifuged and the supernate used for extraction; the other was homogenized by sonication and used as such for extraction. Progesterone concentrations in homogenized whole saliva were double or triple those in supernates. By equilibrium dialysis we established that 85% of progesterone was in the free form in supernates but only 60 to 70% in homogenized whole saliva, depending upon the phase of the cycle of the subjects. Salivary flow was stimulated by crystals of citric acid; unstimulated and stimulated saliva samples were obtained from the same person. Progesterone concentrations were significantly (p less than 0.02) higher in stimulated samples than in unstimulated ones, particularly in samples collected during the luteal phase.
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Maranini, B., S. Mandrioli, M. Galiè, and M. Govoni. "POS0780 PSEUDOGOUT OF THE TEMPOROMANDIBULAR JOINT: A CASE REPORT." Annals of the Rheumatic Diseases 82, Suppl 1 (May 30, 2023): 682.2–682. http://dx.doi.org/10.1136/annrheumdis-2023-eular.1665.
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BackgroundDeposition of calcium pyrophosphate dihydrate crystals occurs in crystalline arthropathies, such as gout and chondrocalcinosis. Occasionally, crystal deposits may affect the temporomandibular joint (TMJ), especially involving the articular cartilage and fibrocartilage, causing pain and jaw claudication, mimicking giant cell arteritis (GCA). Ultrasound (US) images reveal spotted hyperechoic signals in the articular disk and sometimes a marked destruction of the condyle with erosive changes.ObjectivesTo highlight and discuss the potential role of TMJ US in guiding differential diagnosis of orofacial pain syndrome (frontal headache and jaw claudication), arousing the suspicion of GCA.MethodsCase-report describing an old patient presenting with severe headache and jaw claudication with particular reference to the role of TMJ US in differential diagnosis of an initially suspected GCA.ResultsAn 85-year-old woman presented to the Emergency Department with a 2-days history of progressively worsening frontal headache and jaw claudication. She reported no visual loss or polymyalgia rheumatica symptoms. Right temporal artery tenderness was appreciated on clinical examination, without reduced temporal artery pulse. No axillary, brachial, or carotid bruits were appreciated. Neurologic examination was normal; brain computed tomography (CT) revealed no intracerebral hemorrhage or intraparenchymal lesions. Her erythrocyte sedimentation rate was 67 mm per hour, and C-reactive protein level 3.30 mg per deciliter. Temporal artery US revealed no abnormalities (absence of halo sign or arterial stenosis). Since patient complained of chewing pain and given that temporomandibular disorders may be misdiagnosed as GCA, TMJ US was performed revealing the presence of extensive calcifications around the right temporomandibular head and in the meniscus (Figure 1, Panel A). Brain CT images were then carefully reviewed: in the right TMJ massive calcifications surrounding the right temporomandibular head were appreciable (Figure 1, Panel B). Moreover, coronal CT scan of the atlantoaxial region showed calcifications of the alar ligaments, particularly evident on the superior-left side (Figure 1, Panel C). High dose glucocorticoid regimen was then started (Methylprednisolone 40 mg once daily). The patient’s pain rapidly improved, steroid was rapidly tapered until withdrawal, with a complete resolution of symptoms within few weeks.ConclusionCrowned dens syndrome is characterized by recurrent neck pain related to radiodense deposits of hydroxyapatite or calcium pyrophosphate dihydrate in ligaments around the odontoid process, which create the appearance of a crown or halo surrounding the odontoid process on radiographic imaging. Evidence of inflammation (e.g., fever or elevated levels of C-reactive protein) is usually observed. A short course of steroids, followed by administration of nonsteroidal anti-inflammatory medication, usually completely alleviates symptoms.Rarely, temporal arteritis headache may mimic TMJ irradiation pain, or present as jaw claudication. In this case, temporal arteries and TMJ US can enable to discern a halo sign, as a hallmark of giant cell arteritis, from suspicious signs of TMJ disorder. Rapid diagnosis can prevent misdiagnosis, invasive and unnecessary investigations (temporal artery biopsy) and inappropriate treatment (long term steroid regimen, leading to cardiovascular risk and increased bone loss).References[1]Matsumura Y, Nomura J, Nakanishi K, Yanase S, Kato H, Tagawa T. Synovial chondromatosis of the temporomandibular joint with calcium pyrophosphate dihydrate crystal deposition disease (Pseudogout).Dentomaxillofac Radiol.(2012) 41:703–7. doi: 10.1259/dmfr/24183821[2]Austin D, O’Donnell F, Attanasio R. Temporal arteritis mimics TMJ/myofascial pain syndrome. Ohio Dent J. 1992;66(1):44-7.Figure 1.Acknowledgements:NIL.Disclosure of InterestsNone Declared.
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Herzog, Konrad, Paula Bracco, Akira Onoda, Takashi Hayashi, Kurt Hoffmann, and Anett Schallmey. "Enzyme–substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation." Acta Crystallographica Section D Biological Crystallography 70, no. 11 (October 16, 2014): 2875–89. http://dx.doi.org/10.1107/s1399004714019129.
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CYP154C5 fromNocardia farcinicais a bacterial cytochrome P450 monooxygenase active on steroid molecules. The enzyme has recently been shown to exhibit exclusive regioselectivity and stereoselectivity in the conversion of various pregnans and androstans, yielding 16α-hydroxylated steroid products. This makes the enzyme an attractive candidate for industrial application in steroid hormone synthesis. Here, crystal structures of CYP154C5 in complex with four different steroid molecules were solved at resolutions of up to 1.9 Å. These are the first reported P450 structures from the CYP154 family in complex with a substrate. The active site of CYP154C5 forms a flattened hydrophobic channel with two opposing polar regions, perfectly resembling the size and polarity distribution of the steroids and thus resulting in highly specific steroid binding withKdvalues in the range 10–100 nM. Key enzyme–substrate interactions were identified that accounted for the exclusive regioselectivity and stereoselectivity of the enzyme. Additionally, comparison of the four CYP154C5–steroid structures revealed distinct structural differences, explaining the observed variations in kinetic data obtained for this P450 with the steroids pregnenolone, dehydroepiandrosterone, progesterone, androstenedione, testosterone and nandrolone. This will facilitate the generation of variants with improved activity or altered selectivity in the future by means of protein engineering.
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Tischler, Mark, Stephen W. Ayer, Raymond J. Andersen, John F. Mitchell, and Jon Clardy. "Anthosterones A and B, ring A contracted steroids from the sponge Anthoracuata graceae." Canadian Journal of Chemistry 66, no. 5 (May 1, 1988): 1173–78. http://dx.doi.org/10.1139/v88-192.
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Four new steroids, anthosterone A (5), anthosterone B (6), and the Δ4-3,6-diketo steroids 7 and 8, have been isolated from the sponge Anthoarcuata graceae. The structures of anthosterones A (5) and B (6) were deduced from their spectral data and verified via single crystal X-ray diffraction analysis on 5. The proposed structures for steroids 7 and 8 were based on spectral analysis and confirmed by synthesis of a model compound 12. Anthosterones A and B represent the first examples of a new type of ring A contraction in a steroid nucleus.
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Anthony, Addlagatta, Mariusz Jaskólski, and Ashwini Nangia. "Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality." Acta Crystallographica Section B Structural Science 56, no. 3 (June 1, 2000): 512–25. http://dx.doi.org/10.1107/s0108768199015542.
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The crystal structures of six synthetic 2-oxa-steroids (A-ring lactone steroids) have been determined by single-crystal X-ray diffraction. The conformation and hydrogen bonding in these oxa-steroids is compared with packing motifs in the natural steroids and the anabolic agent, Anavar®. O—H...O hydrogen bonding with lactone carbonyl O is the preferred arrangement in molecules with a C—OH group. The donor H atoms of A, B and D rings participate in C—H...O interactions with lactone carbonyl O and D-ring hydroxyl/ketone O acceptor atoms. The conformation of the lactone ring in these analogues is different from the natural androgens because replacement of the C2-methylene group by an O atom changes the geometry of the A ring. Two structurally related lactone steroids provide the first example of O—H...O/C—H...O interaction mimicry and furthermore the two components form a binary solid solution. The O—H...O and C—H...O hydrogen bonds in 2-oxa-steroid crystal structures are analysed and the observed preferences discussed in terms of geometric and chemical factors.
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Kiema, Tiila-Riikka, Chandan J. Thapa, Mikko Laitaoja, Werner Schmitz, Mirko M. Maksimainen, Toshiyuki Fukao, Juha Rouvinen, Janne Jänis, and Rik K. Wierenga. "The peroxisomal zebrafish SCP2-thiolase (type-1) is a weak transient dimer as revealed by crystal structures and native mass spectrometry." Biochemical Journal 476, no. 2 (January 25, 2019): 307–32. http://dx.doi.org/10.1042/bcj20180788.
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Abstract The SCP2 (sterol carrier protein 2)-thiolase (type-1) functions in the vertebrate peroxisomal, bile acid synthesis pathway, converting 24-keto-THC-CoA and CoA into choloyl-CoA and propionyl-CoA. This conversion concerns the β-oxidation chain shortening of the steroid fatty acyl-moiety of 24-keto-THC-CoA. This class of dimeric thiolases has previously been poorly characterized. High-resolution crystal structures of the zebrafish SCP2-thiolase (type-1) now reveal an open catalytic site, shaped by residues of both subunits. The structure of its non-dimerized monomeric form has also been captured in the obtained crystals. Four loops at the dimer interface adopt very different conformations in the monomeric form. These loops also shape the active site and their structural changes explain why a competent active site is not present in the monomeric form. Native mass spectrometry studies confirm that the zebrafish SCP2-thiolase (type-1) as well as its human homolog are weak transient dimers in solution. The crystallographic binding studies reveal the mode of binding of CoA and octanoyl-CoA in the active site, highlighting the conserved geometry of the nucleophilic cysteine, the catalytic acid/base cysteine and the two oxyanion holes. The dimer interface of SCP2-thiolase (type-1) is equally extensive as in other thiolase dimers; however, it is more polar than any of the corresponding interfaces, which correlates with the notion that the enzyme forms a weak transient dimer. The structure comparison of the monomeric and dimeric forms suggests functional relevance of this property. These comparisons provide also insights into the structural rearrangements that occur when the folded inactive monomers assemble into the mature dimer.
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Boyan, Barbara D., Niels C. Asmussen, Zhao Lin, and Zvi Schwartz. "The Role of Matrix-Bound Extracellular Vesicles in the Regulation of Endochondral Bone Formation." Cells 11, no. 10 (May 12, 2022): 1619. http://dx.doi.org/10.3390/cells11101619.
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Matrix vesicles are key players in the development of the growth plate during endochondral bone formation. They are involved in the turnover of the extracellular matrix and its mineralization, as well as being a vehicle for chondrocyte communication and regulation. These extracellular organelles are released by the cells and are anchored to the matrix via integrin binding to collagen. The exact function and makeup of the vesicles are dependent on the zone of the growth plate in which they are produced. Early studies defined their role as sites of initial calcium phosphate deposition based on the presence of crystals on the inner leaflet of the membrane and subsequent identification of enzymes, ion transporters, and phospholipid complexes involved in mineral formation. More recent studies have shown that they contain small RNAs, including microRNAs, that are distinct from the parent cell, raising the hypothesis that they are a distinct subset of exosomes. Matrix vesicles are produced under complex regulatory pathways, which include the action of steroid hormones. Once in the matrix, their maturation is mediated by the action of secreted hormones. How they convey information to cells, either through autocrine or paracrine actions, is now being elucidated.
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Opdebeeck, Britt, Ellen Neven, Stuart Maudsley, Hanne Leysen, Deborah Walter, Hilde Geryl, Patrick C. D’Haese, and Anja Verhulst. "A Proteomic Screen to Unravel the Molecular Pathways Associated with Warfarin-Induced or TNAP-Inhibited Arterial Calcification in Rats." International Journal of Molecular Sciences 24, no. 4 (February 11, 2023): 3657. http://dx.doi.org/10.3390/ijms24043657.
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Arterial media calcification refers to the pathological deposition of calcium phosphate crystals in the arterial wall. This pathology is a common and life-threatening complication in chronic kidney disease, diabetes and osteoporosis patients. Recently, we reported that the use of a TNAP inhibitor, SBI-425, attenuated arterial media calcification in a warfarin rat model. Employing a high-dimensionality unbiased proteomic approach, we also investigated the molecular signaling events associated with blocking arterial calcification through SBI-425 dosing. The remedial actions of SBI-425 were strongly associated with (i) a significant downregulation of inflammatory (acute phase response signaling) and steroid/glucose nuclear receptor signaling (LXR/RXR signaling) pathways and (ii) an upregulation of mitochondrial metabolic pathways (TCA cycle II and Fatty Acid β-oxidation I). Interestingly, we previously demonstrated that uremic toxin-induced arterial calcification contributes to the activation of the acute phase response signaling pathway. Therefore, both studies suggest a strong link between acute phase response signaling and arterial calcification across different conditions. The identification of therapeutic targets in these molecular signaling pathways may pave the way to novel therapies against the development of arterial media calcification.
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Gomes, Ligia R., John N. Low, Alan B. Turner, Alexander W. Nowicki, Thomas C. Baddeley, and James L. Wardell. "Crystal structures and Hirshfeld surface analyses of a des-A-B-aromatic steroidal compound, and two of its derivatives, having a trans-2,3,4,5-tetrahydro-3a-methyl-7-methoxybenz[e]indane skeleton – structural comparisons with reported tetrahydrobenz[e]indene derivatives." Zeitschrift für Naturforschung B 74, no. 9 (September 25, 2019): 649–63. http://dx.doi.org/10.1515/znb-2019-0094.
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AbstractThe crystal structures and Hirshfeld surface analyses of the des-A-B-aromatic steroid derivative, (3a,9b)-1,2,3a,4,5,9b-hexahydro-7-methoxy-3a-methyl-3H-benz[e]-inden-3-one (or 5-methoxy-des-A-estra-5,7,9-triene-17-one) 1, its acetohydrazide derivative, 2, and its hydrazone derivative, 3, are reported. All three compounds crystallize in chiral space groups: compounds 1 and 2 in the orthorhombic space group P212121 each with one molecule in the asymmetric unit, and compound 3 in the monoclinic space group P21 with two similar but independent molecules, Mol A and Mol B, in the asymmetric unit. Both the five-membered and six-membered non-aromatic rings in all three compounds have envelope or near envelope shapes. In compounds 2 and 3 the N=N units have (E)-arrangements. The intermolecular interactions in crystals of compound 1 are C–H · · · O hydrogen bonds and C–H · · · π interactions, in compound 2 N–H · · · O and C–H · · · O hydrogen bonds and C–H · · · π interactions are present, while in compound 3 there are just C–H · · · π interactions. An important substructure in 1 is a sheet of molecules, composed of ${\rm{R}}_6^6(44)$ rings, formed from C–H · · · O(methoxy) and C–H · · · O(carbonyl) hydrogen bonds, the molecules of which form columns linked via the B and D rings, i.e. in a head-to-tail fashion. Compound 2 is an acylhydrazonyl compound, in which the two independent molecules are linked into asymmetric dimers via strong classical N–H · · · O hydrogen bonds, with the formation of ${\rm{R}}_2^2(8)$ rings. In both 1 and 2, further intermolecular interactions result in 3-dimensional structures, while compound 3 has a 1-dimensional structure arising from C–H · · · O interactions generating spiral chains. The results have been compared with existing data.
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Penning, Trevor M., Phumvadee Wangtrakuldee, and Richard J. Auchus. "Structural and Functional Biology of Aldo-Keto Reductase Steroid-Transforming Enzymes." Endocrine Reviews 40, no. 2 (August 20, 2018): 447–75. http://dx.doi.org/10.1210/er.2018-00089.
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Abstract Aldo-keto reductases (AKRs) are monomeric NAD(P)(H)-dependent oxidoreductases that play pivotal roles in the biosynthesis and metabolism of steroids in humans. AKR1C enzymes acting as 3-ketosteroid, 17-ketosteroid, and 20-ketosteroid reductases are involved in the prereceptor regulation of ligands for the androgen, estrogen, and progesterone receptors and are considered drug targets to treat steroid hormone–dependent malignancies and endocrine disorders. In contrast, AKR1D1 is the only known steroid 5β-reductase and is essential for bile-acid biosynthesis, the generation of ligands for the farnesoid X receptor, and the 5β-dihydrosteroids that have their own biological activity. In this review we discuss the crystal structures of these AKRs, their kinetic and catalytic mechanisms, AKR genomics (gene expression, splice variants, polymorphic variants, and inherited genetic deficiencies), distribution in steroid target tissues, roles in steroid hormone action and disease, and inhibitor design.
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Harrison, William T. A., Lutfun Nahar, and Alan B. Turner. "Crystal structure of bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate." Acta Crystallographica Section E Structure Reports Online 70, no. 8 (July 19, 2014): 62–64. http://dx.doi.org/10.1107/s1600536814009349.
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In the title compound, C40H50O6, a symmetrical steroid oxalate diester, the dihedral angle between the CO2planes of the oxalate linker is 61.5 (5)° and the C—C bond length is 1.513 (6) Å. The steroidB,CandDrings adopt half-chair, chair and envelope conformations, respectively, in both halves of the molecule, which adopts an overall shallow V-shaped conformation. In the crystal, molecules are linked by weak C—H...O interactions, forming a three-dimensional network.
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Bouzidi, Lobna, Meriam Triki, Slim Charfi, Hana Ben Ameur, Mahdi Ben Dhaou, Touraya Bouaziz, and Tahya Boudawara. "Incidental Finding of Bilateral Ovarian Adrenal Rest Tumor in a Patient With Congenital Adrenal Hyperplasia: A Case Report and Brief Review." Pediatric and Developmental Pathology 24, no. 2 (January 12, 2021): 137–41. http://dx.doi.org/10.1177/1093526620980614.
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Ovarian adrenal rest tumors (OART) are tumors that develop in females with congenital adrenal hyperplasia (CAH). In contrast to their counterpart in testicles, they are exceptional and few cases have been reported in the literature. In this report, we present clinicopathological findings of a female patient with CAH due to 21-hydroxylase deficiency who was incidentally diagnosed with OART with a review of the literature. The 14-year-old patient, who was raised as a boy, developed a virilizing syndrome with high testosterone levels that were attributed to non adherence to her replacement corticosteroid therapy. She consulted for sex reassignment surgery. Pelvic ultrasound was normal. She underwent hysterectomy and bilateral adnexectomy. No abnormalities were noticed during the operation. Grossly, both ovaries were variegated with well circumscribed and lobulated, brownish-yellow nodules. Histologically, the nodules were composed of nests of large polygonal cells with centrally located nuclei and prominent nucleoli. There was mild atypia and no crystals of Reinke. Thus, the findings of the histopathological examination were consistent with bilateral OART. Histological differential diagnosis of OART can be challenging particularly with leydig cell tumor, stromal luteoma and steroid cell tumors, not otherwise specified. OART must be considered in women with CAH and persistent virilizing symptoms despite negative imaging results.
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Nuzzi, Raffaele, Monica Gunetti, Deborah Rustichelli, Barbara Roagna, Francesca Fronticelli Bardelli, Franca Fagioli, and Ivana Ferrero. "Effect ofIn VitroExposure of Corticosteroid Drugs, Conventionally Used in AMD Treatment, on Mesenchymal Stem Cells." Stem Cells International 2012 (2012): 1–11. http://dx.doi.org/10.1155/2012/946090.
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Age-related macular degeneration (AMD) is a leading cause of legal blindness in individuals over 60 years of age, characterized by the dysfunction of retinal pigmented epithelium cells, specifically in the macular area. Despite several treatment options, AMD therapy remains difficult, especially for exudative AMD. Multipotent mesenchymal stem cells (MSCs), with great plasticity and immunomodulant properties, are a promising cell source for cellular therapy and tissue engineering. We evaluated the effects of steroid drugs, often used to treat AMD, in association with MSCs, in view of a possible application together to treat AMD. Morphology, viability, growth kinetics, and immunophenotype were evaluated on healthy donors’ MSCs, treated with triamcinolone acetonide, alcohol-free triamcinolone acetonide, micronized intravitreal triamcinolone and dexamethasone at different concentrations, and in a human retinal pigment epithelial cell line supernatant (ARPE-19). The morphological analysis of MSCs in their standard medium showed a negative correlation with drug concentrations, due to the numerous crystals. Dexamethasone was the least toxic corticosteroid used in this study. ARPE-19 seemed to help cells preserve the typical MSC morphology. In conclusion, thisin vitrostudy demonstrated that high doses of corticosteroid drugs have a negative effect on MSCs, reduced in the presence of a conditioned media.
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Alam, Mahboob. "Exploration of Binding Affinities of a 3β,6β-Diacetoxy-5α-cholestan-5-ol with Human Serum Albumin: Insights from Synthesis, Characterization, Crystal Structure, Antioxidant and Molecular Docking." Molecules 28, no. 16 (August 8, 2023): 5942. http://dx.doi.org/10.3390/molecules28165942.
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The present study describes the synthesis, characterization, and in vitro molecular interactions of a steroid 3β,6β-diacetoxy-5α-cholestan-5-ol. Through conventional and solid-state methods, a cholestane derivative was successfully synthesized, and a variety of analytical techniques were employed to confirm its identity, including high-resolution mass spectrometry (HRMS), Fourier transforms infrared (FT-IR), nuclear magnetic resonance (NMR), elemental analysis, and X-ray single-crystal diffraction. Optimizing the geometry of the steroid was undertaken using density functional theory (DFT), and the results showed great concordance with the data from the experiments. Fluorescence spectral methods and ultraviolet–vis absorption titration were employed to study the in vitro molecular interaction of the steroid regarding human serum albumin (HSA). The Stern-Volmer, modified Stern-Volmer, and thermodynamic parameters’ findings showed that steroids had a significant binding affinity to HSA and were further investigated by molecular docking studies to understand the participation of active amino acids in forming non-bonding interactions with steroids. Fluorescence studies have shown that compound 3 interacts with human serum albumin (HSA) through a static quenching mechanism. The binding affinity of compound 3 for HSA was found to be 3.18 × 104 mol−1, and the Gibbs free energy change (ΔG) for the binding reaction was −9.86 kcal mol−1 at 298 K. This indicates that the binding of compound 3 to HSA is thermodynamically favorable. The thermodynamic parameters as well as the binding score obtained from molecular docking at various Sudlow’s sites was −8.2, −8.5, and −8.6 kcal/mol for Sites I, II, and III, respectively, supporting the system’s spontaneity. Aside from its structural properties, the steroid demonstrated noteworthy antioxidant activity, as evidenced by its IC50 value of 58.5 μM, which is comparable to that of ascorbic acid. The findings presented here contribute to a better understanding of the pharmacodynamics of steroids.
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Daśko, Mateusz, Anna Dołęga, Magdalena Siedzielnik, Karol Biernacki, Olga Ciupak, Janusz Rachon, and Sebastian Demkowicz. "Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking." Molecules 26, no. 13 (July 2, 2021): 4059. http://dx.doi.org/10.3390/molecules26134059.
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Herein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate the Hirshfeld surfaces for each of the synthesized compounds. Furthermore, results of our docking studies indicated that synthesized derivatives are able to bind effectively to the active sites of selected enzymes and receptors involved in the hormone biosynthesis and signaling pathways, analogously to the native steroids.
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Latsch, Silvia, Torsten Selzer, Lothar Fink, Michael Horstmann, and Jörg Kreuter. "Use of isothermal heat conduction microcalorimetry, X-ray diffraction, and optical microscopy for characterisation of crystals grown in steroid combination-containing transdermal drug delivery systems." European Journal of Pharmaceutics and Biopharmaceutics 57, no. 2 (March 2004): 397–410. http://dx.doi.org/10.1016/s0939-6411(03)00120-6.
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Gupta, AK, Rijuneeta LNU, H. Verma, and A. Chakrabarti. "Allergic Fungal Rhinosinusitis Involving Frontal Sinus: A Prospective Study comparing Surgical Modalities." An International Journal Clinical Rhinology 6, no. 1 (2013): 10–15. http://dx.doi.org/10.5005/jp-journals-10013-1141.
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ABSTRACT Allergic fungal rhinosinusitis (AFRS) represents a hypersensitivity response to extramucosal fungi within the sinus cavity without evidence of tissue invasion. AFRS is characterized by fungal element with allergic mucin, Charcot-Leyden crystals, type I hypersensitivity, bony erosion with sinus infection on computed tomographic (CT) scan. Surgery remains the treatment of choice for AFRS followed by prolonged steroid therapy. Surgical approaches for frontal sinus disease can be either endonasal endoscopic or external. This is a nonrandomized prospective study, where the postoperative results of endoscopic frontal sinusotomy were compared with external frontoethmoidectomy approach. This is a nonrandomized prospective study, where the postoperative results of endoscopic frontal sinusotomy were compared with external frontoethmoidectomy approach. The comparison between external frontoethmoidectomy and endoscopic approach was done by using Chi-square test. There was no statistical significant difference found, when postoperatively clinical symptoms, radiology and investigations in patients of both the groups were compared. The success rate was 95.5% in group I and 91.1% after 6 months of follow-up. The world literature lacks prospective studies where attempts are made to compare the long-term results of both the surgical modalities for AFRS patients. Endoscopic endonasal approach has a distinct advantage over the external frontoethmoidectomy approach as it minimizes external scars over the face with almost equal or better long-term results. How to cite this article Verma H, Rijuneeta, Gupta AK, Chakrabarti A. Allergic Fungal Rhinosinusitis Involving Frontal Sinus: A Prospective Study comparing Surgical Modalities. Clin Rhinol An Int J 2013;6(1):10-15.
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Fábián, László, Gyula Argay, and Alajos Kálmán. "On the polymorphism of a sapogenin monohydrate induced by different rotations of water molecules." Acta Crystallographica Section B Structural Science 55, no. 5 (October 1, 1999): 788–92. http://dx.doi.org/10.1107/s0108768199005315.
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The structure of 1β,3β,11α-trihydroxyspirosta-5,25(27)-diene (C27H40O5; a steroidal sapogenin) isolated from Helleborus serbicus Adam 1906 (Ranunculaceae) and crystallized from absolute ethanol as a monohydrate (melting point 519–522 K) had been characterized by two symmetry-independent binary (steroid–water) layers, cross-linked by hydrogen bonds [Kálmán et al. (1985). Acta Cryst. C41, 1645–1647]. Recently, a novel monohydrate was crystallized again from absolute ethanol (source: Helleborus multifidus subspecies serbicus) with a somewhat higher melting point of 525–526 K. X-ray analysis of these crystals [Argay et al. (1998). Acta Chim. Hung. 135, 449–456] revealed a novel polymorph (hereinafter denoted polymorph B ), which is also built up by two binary layers of C27H40O5 and H2O, but in which the relative position of these layers differs from that found in the first modification (polymorph A ). Comparing the two polymorphs, layers of one type are found to be similar, displaying identical hydrogen bonding, whereas layers of the second type differ with respect to the orientations adopted by the water molecules; these orientations also differ from those in the layers of the first type. Consequently, by these water rotations, hydrogen bonds, at least partly, are reversed. This leads to two different close packings: in form A four consecutive layers are cross-linked by two homomolecular (hydroxyl...hydroxyl and water...water) hydrogen-bond pairs, while in B there are only heteromolecular hydroxyl...water bonds. These hydrogen-bond dissimilarities together with the differences in the weak CH...X etc. interactions explain the greater stability of the higher melting-point form B .
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Albert, Dieter, Martin Feigel, Jordi Benet-Buchholz, and Roland Boese. "Crystal Structure of a Peptide-Steroid Macrocycle—Intramolecular Attraction between Steroids and Peptidicβ(I) Turns." Angewandte Chemie International Edition 37, no. 19 (October 16, 1998): 2727–29. http://dx.doi.org/10.1002/(sici)1521-3773(19981016)37:19<2727::aid-anie2727>3.0.co;2-g.
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Bachert, Claus, Marc Humbert, Nicola A. Hanania, Nan Zhang, Stephen Holgate, Roland Buhl, and Barbara M. Bröker. "Staphylococcus aureus and its IgE-inducing enterotoxins in asthma: current knowledge." European Respiratory Journal 55, no. 4 (January 24, 2020): 1901592. http://dx.doi.org/10.1183/13993003.01592-2019.
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While immunoglobulin (Ig) E is a prominent biomarker for early-onset, its levels are often elevated in non-allergic late-onset asthma. However, the pattern of IgE expression in the latter is mostly polyclonal, with specific IgEs low or below detection level albeit with an increased total IgE. In late-onset severe asthma patients, specific IgE to Staphylococcal enterotoxins (se-IgE) can frequently be detected in serum, and has been associated with asthma, with severe asthma defined by hospitalisations, oral steroid use and decrease in lung function. Recently, se-IgE was demonstrated to even predict the development into severe asthma with exacerbations over the next decade. Staphylococcus aureus manipulates the airway mucosal immunology at various levels via its proteins, including superantigens, serine-protease-like proteins (Spls), or protein A (SpA) and possibly others. Release of IL-33 from respiratory epithelium and activation of innate lymphoid cells (ILCs) via its receptor ST2, type 2 cytokine release from those ILCs and T helper (Th) 2 cells, mast cell degranulation, massive local B-cell activation and IgE formation, and finally eosinophil attraction with consequent release of extracellular traps, adding to the epithelial damage and contributing to disease persistence via formation of Charcot–Leyden crystals are the most prominent hallmarks of the manipulation of the mucosal immunity by S. aureus. In summary, S. aureus claims a prominent role in the orchestration of severe airway inflammation and in current and future disease severity. In this review, we discuss current knowledge in this field and outline the needs for future research to fully understand the impact of S. aureus and its proteins on asthma.
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Cassetta, Alberto, Ivet Krastanova, Katja Kristan, Mojca Brunskole Švegelj, Doriano Lamba, Tea Lanišnik Rižner, and Jure Stojan. "Insights into subtle conformational differences in the substrate-binding loop of fungal 17β-hydroxysteroid dehydrogenase: a combined structural and kinetic approach." Biochemical Journal 441, no. 1 (December 14, 2011): 151–60. http://dx.doi.org/10.1042/bj20110567.
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The 17β-HSD (17β-hydroxysteroid dehydrogenase) from the filamentous fungus Cochliobolus lunatus (17β-HSDcl) is a NADP(H)-dependent enzyme that preferentially catalyses the interconversion of inactive 17-oxo-steroids and their active 17β-hydroxy counterparts. 17β-HSDcl belongs to the SDR (short-chain dehydrogenase/reductase) superfamily. It is currently the only fungal 17β-HSD member that has been described and represents one of the model enzymes of the cP1 classical subfamily of NADPH-dependent SDR enzymes. A thorough crystallographic analysis has been performed to better understand the structural aspects of this subfamily and provide insights into the evolution of the HSD enzymes. The crystal structures of the 17β-HSDcl apo, holo and coumestrol-inhibited ternary complex, and the active-site Y167F mutant reveal subtle conformational differences in the substrate-binding loop that probably modulate the catalytic activity of 17β-HSDcl. Coumestrol, a plant-derived non-steroidal compound with oestrogenic activity, inhibits 17β-HSDcl [IC50 2.8 μM; at 100 μM substrate (4-oestrene-3,17-dione)] by occupying the putative steroid-binding site. In addition to an extensive hydrogen-bonding network, coumestrol binding is stabilized further by π–π stacking interactions with Tyr212. A stopped-flow kinetic experiment clearly showed the coenzyme dissociation as the slowest step of the reaction and, in addition to the low steroid solubility, it prevents the accumulation of enzyme–coenzyme–steroid ternary complexes.
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Reed, M. J., A. Purohit, L. W. L. Woo, S. P. Newman, and B. V. L. Potter. "Steroid Sulfatase: Molecular Biology, Regulation, and Inhibition." Endocrine Reviews 26, no. 2 (April 1, 2005): 171–202. http://dx.doi.org/10.1210/er.2004-0003.
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Steroid sulfatase (STS) is responsible for the hydrolysis of aryl and alkyl steroid sulfates and therefore has a pivotal role in regulating the formation of biologically active steroids. The enzyme is widely distributed throughout the body, and its action is implicated in physiological processes and pathological conditions. The crystal structure of the enzyme has been resolved, but relatively little is known about what regulates its expression or activity. Research into the control and inhibition of this enzyme has been stimulated by its important role in supporting the growth of hormone-dependent tumors of the breast and prostate. STS is responsible for the hydrolysis of estrone sulfate and dehydroepiandrosterone sulfate to estrone and dehydroepiandrosterone, respectively, both of which can be converted to steroids with estrogenic properties (i.e., estradiol and androstenediol) that can stimulate tumor growth. STS expression is increased in breast tumors and has prognostic significance. The role of STS in supporting tumor growth prompted the development of potent STS inhibitors. Several steroidal and nonsteroidal STS inhibitors are now available, with the irreversible type of inhibitor having a phenol sulfamate ester as its active pharmacophore. One such inhibitor, 667 COUMATE, has now entered a phase I trial in postmenopausal women with breast cancer. The skin is also an important site of STS activity, and deficiency of this enzyme is associated with X-linked ichthyosis. STS may also be involved in regulating part of the immune response and some aspects of cognitive function. The development of potent STS inhibitors will allow investigation of the role of this enzyme in physiological and pathological processes.
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Brinkman, Joseph C., Kade S. McQuivey, Justin L. Makovicka, and Joshua S. Bingham. "Crystal Arthropathy in the Setting of Total Knee Arthroplasty." Case Reports in Orthopedics 2020 (March 24, 2020): 1–4. http://dx.doi.org/10.1155/2020/7613627.
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We present a case of an 82-year-old female with a history of right total knee arthroplasty 11 years prior. She was admitted after a ground-level fall and developed progressive pain and swelling of her right knee. She had no history of complications with her total knee replacement. Radiographs of the knee and hip were negative for acute fracture, dislocation, or hardware malalignment. Knee aspiration was performed and revealed inflammatory exudate, synovial fluid consistent with crystal arthropathy, and no bacterial growth. She was diagnosed with an acute gout flare, and her symptoms significantly improved with steroids and anti-inflammatory treatment. Orthopedic surgeons should be aware of the potential for crystal arthropathy in the setting of total joint arthroplasty and evaluate for crystals before treating a presumed periprosthetic joint infection.