Relevant bibliographies by topics / Pharmaceutical cocrystal systems / Journal articles

Journal articles on the topic 'Pharmaceutical cocrystal systems'

To see the other types of publications on this topic, follow the link: Pharmaceutical cocrystal systems.
Author: Grafiati
Published: 10 December 2022
Last updated: 28 January 2023

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 25 journal articles for your research on the topic 'Pharmaceutical cocrystal systems.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

Mnguni, Malitsatsi J., Joseph P. Michael, and Andreas Lemmerer. "Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline–3,4-dihydroxybenzoic acid." Acta Crystallographica Section C Structural Chemistry 74, no. 6 (May 23, 2018): 715–20. http://dx.doi.org/10.1107/s2053229618006861.

Full text
Abstract:
An analysis and classification of the 2925 neutral binary organic cocrystals in the Cambridge Structural Database is reported, focusing specifically on those both showing polymorphism and containing an active pharmaceutical ingredient (API). The search was confined to molecules having only C, H, N, O, S and halogens atoms. It was found that 400 out of 2925 cocrystals can be classified as pharmaceutical cocrystals, containing at least one API, and that of those, 56 can be classified as being polymorphic cocrystals. In general, the total number of polymorphic cocrystal systems of any type stands at 125. In addition, a new polymorph of the pharmaceutical cocrystal theophylline–3,4-dihydroxybenzoic acid (1/1), C7H8N4O2·C7H6O4, is reported.
APA, Harvard, Vancouver, ISO, and other styles
2

Leng, Fucheng, Koen Robeyns, and Tom Leyssens. "Urea as a Cocrystal Former—Study of 3 Urea Based Pharmaceutical Cocrystals." Pharmaceutics 13, no. 5 (May 7, 2021): 671. http://dx.doi.org/10.3390/pharmaceutics13050671.

Full text
Abstract:
Cocrystallization is commonly used for its ability to improve the physical properties of APIs, such as solubility, bioavailability, compressibility, etc. The pharmaceutical industry is particularly interested in those cocrystals comprising a GRAS former in connection with the target API. In this work, we focus on the potential of urea as a cocrystal former, identifying three novel pharmaceutical cocrystal systems with catechin, 3-hydroxyl-2-naphthoic and ellagic acid. Interestingly, the stability of catechin under high humidity or high temperature environment is improved upon cocrystallization with urea. Moreover, the solubility of ellagic acid is improved about 17 times. This work displays the latent possibility of urea in improving the physical property of drug molecules using a cocrystallization approach.
APA, Harvard, Vancouver, ISO, and other styles
3

Brittain, Harry G. "Cocrystal Systems of Pharmaceutical Interest: 2010." Crystal Growth & Design 12, no. 2 (January 5, 2012): 1046–54. http://dx.doi.org/10.1021/cg201510n.

Full text
APA, Harvard, Vancouver, ISO, and other styles
4

Brittain, Harry G. "Cocrystal Systems of Pharmaceutical Interest: 2011." Crystal Growth & Design 12, no. 11 (October 8, 2012): 5823–32. http://dx.doi.org/10.1021/cg301114f.

Full text
APA, Harvard, Vancouver, ISO, and other styles
5

Rajput, Lalit, Manas Banik, Jayasubba Reddy Yarava, Sumy Joseph, Manoj Kumar Pandey, Yusuke Nishiyama, and Gautam R. Desiraju. "Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering." IUCrJ 4, no. 4 (June 5, 2017): 466–75. http://dx.doi.org/10.1107/s205225251700687x.

Full text
Abstract:
There has been significant recent interest in differentiating multicomponent solid forms, such as salts and cocrystals, and, where appropriate, in determining the position of the proton in theX—H...A—YX−...H—A+—Ycontinuum in these systems, owing to the direct relationship of this property to the clinical, regulatory and legal requirements for an active pharmaceutical ingredient (API). In the present study, solid forms of simple cocrystals/salts were investigated by high-field (700 MHz) solid-state NMR (ssNMR) using samples with naturally abundant15N nuclei. Four model compounds in a series of prototypical salt/cocrystal/continuum systems exhibiting {PyN...H—O—}/{PyN+—H...O−} hydrogen bonds (Py is pyridine) were selected and prepared. The crystal structures were determined at both low and room temperature using X-ray diffraction. The H-atom positions were determined by measuring the15N—1H distances through15N-1H dipolar interactions using two-dimensional inversely proton-detected cross polarization with variable contact-time (invCP-VC)1H→15N→1H experiments at ultrafast (νR≥ 60–70 kHz) magic angle spinning (MAS) frequency. It is observed that this method is sensitive enough to determine the proton position even in a continuum where an ambiguity of terminology for the solid form often arises. This work, while carried out on simple systems, has implications in the pharmaceutical industry where the salt/cocrystal/continuum condition of APIs is considered seriously.
APA, Harvard, Vancouver, ISO, and other styles
6

Wong, Si Nga, Susan Wing Sze Chan, Xuexin Peng, Bianfei Xuan, Hok Wai Lee, Henry H. Y. Tong, and Shing Fung Chow. "Effects of the Glass-Forming Ability and Annealing Conditions on Cocrystallization Behaviors via Rapid Solvent Removal: A Case Study of Voriconazole." Pharmaceutics 12, no. 12 (December 14, 2020): 1209. http://dx.doi.org/10.3390/pharmaceutics12121209.

Full text
Abstract:
The kinetic entrapment of molecules in an amorphous phase is a common obstacle to cocrystal screening using rapid solvent removal, especially for drugs with a moderate or high glass-forming ability (GFA). The aim of this study was to elucidate the effects of the coformer’s GFA and annealing conditions on the nature of amorphous phase transformation to the cocrystal counterpart. Attempts were made to cocrystallize voriconazole (VRC) with four structural analogues, namely fumaric acid (FUM), tartaric acid (TAR), malic acid (MAL), and maleic acid (MAE). The overall GFA of VRC binary systems increased with decreasing glass transition temperatures (Tgs) of these diacids, which appeared as a critical parameter for predicting the cocrystallization propensity such that a high-Tg coformer is more desirable. A new 1:1 VRC-TAR cocrystal was successfully produced via a supercooled-mediated re-cocrystallization process, and characterized by PXRD, DSC, and FTIR. The cocrystal purity against the annealing temperature displayed a bell-shaped curve, with a threshold at 40 °C. The isothermal phase purity improved with annealing and adhered to the Kolmogorov–Johnson–Mehl–Avrami kinetics. The superior dissolution behavior of the VRC-TAR cocrystal could minimize VRC precipitation upon gastric emptying. This study offers a simple but useful guide for efficient cocrystal screening based on the Tg of structurally similar coformers, annealing temperature, and time.
APA, Harvard, Vancouver, ISO, and other styles
7

Kaur, Navpreet, Naga Kiran Duggirala, Seema Thakral, and Raj Suryanarayanan. "Role of Lattice Disorder in Water-Mediated Dissociation of Pharmaceutical Cocrystal Systems." Molecular Pharmaceutics 16, no. 7 (May 22, 2019): 3167–77. http://dx.doi.org/10.1021/acs.molpharmaceut.9b00386.

Full text
APA, Harvard, Vancouver, ISO, and other styles
8

Bordignon, Simone, Paolo Cerreia Vioglio, Elena Amadio, Federica Rossi, Emanuele Priola, Dario Voinovich, Roberto Gobetto, and Michele R. Chierotti. "Molecular Crystal Forms of Antitubercular Ethionamide with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study." Pharmaceutics 12, no. 9 (August 28, 2020): 818. http://dx.doi.org/10.3390/pharmaceutics12090818.

Full text
Abstract:
We report on the preparation, characterization, and bioavailability properties of three new crystal forms of ethionamide, an antitubercular agent used in the treatment of drug-resistant tuberculosis. The new adducts were obtained by combining the active pharmaceutical ingredient with three dicarboxylic acids, namely glutaric, malonic and tartaric acid, in equimolar ratios. Crystal structures were obtained for all three adducts and were compared with two previously reported multicomponent systems of ethionamide with maleic and fumaric acid. The ethionamide-glutaric acid and the ethionamide-malonic acid adducts were thoroughly characterized by means of solid-state NMR (13C and 15N Cross-Polarization Magic Angle Spinning or CPMAS) to confirm the position of the carboxylic proton, and they were found to be a cocrystal and a salt, respectively; they were compared with two previously reported multicomponent systems of ethionamide with maleic and fumaric acid. Ethionamide-tartaric acid was found to be a rare example of kryptoracemic cocrystal. In vitro bioavailability enhancements up to a factor 3 compared to pure ethionamide were assessed for all obtained adducts.
APA, Harvard, Vancouver, ISO, and other styles
9

Birolo, Rebecca, Federica Bravetti, Simone Bordignon, Ilenia D’Abbrunzo, Paolo P. Mazzeo, Beatrice Perissutti, Alessia Bacchi, Michele R. Chierotti, and Roberto Gobetto. "Overcoming the Drawbacks of Sulpiride by Means of New Crystal Forms." Pharmaceutics 14, no. 9 (August 23, 2022): 1754. http://dx.doi.org/10.3390/pharmaceutics14091754.

Full text
Abstract:
This study aims at developing new multicomponent crystal forms of sulpiride, an antipsychotic drug. The main goal was to improve its solubility since it belongs to class IV of the BCS. Nine new adducts were obtained by combining the active pharmaceutical ingredient with acid coformers: a salt cocrystal and eight molecular salts. In addition, three novel co-drugs, of which two are molecular salts and one is a cocrystal, were also achieved. All samples were characterized in the solid state by complementary techniques (i.e., infrared spectroscopy, powder X-ray diffraction and solid-state NMR). For systems for which it was possible to obtain good-quality single crystals, the structure was solved by single crystal X-ray diffraction (SCXRD). SCXRD combined with solid-state NMR were used to evaluate the ionic or neutral character of the adducts. In vitro dissolution tests of the new crystal forms were performed and all the adducts display remarkable dissolution properties with respect to pure sulpiride.
APA, Harvard, Vancouver, ISO, and other styles
10

Perlovich, German L. "Thermodynamic characteristics of cocrystal formation and melting points for rational design of pharmaceutical two-component systems." CrystEngComm 17, no. 37 (2015): 7019–28. http://dx.doi.org/10.1039/c5ce00992h.

Full text
APA, Harvard, Vancouver, ISO, and other styles
11

Baykov, Sergey V., Alexander S. Mikherdov, Alexander S. Novikov, Kirill K. Geyl, Marina V. Tarasenko, Maxim A. Gureev, and Vadim P. Boyarskiy. "π–π Noncovalent Interaction Involving 1,2,4- and 1,3,4-Oxadiazole Systems: The Combined Experimental, Theoretical, and Database Study." Molecules 26, no. 18 (September 18, 2021): 5672. http://dx.doi.org/10.3390/molecules26185672.

Full text
Abstract:
A series of N-pyridyl ureas bearing 1,2,4- (1a, 2a, and 3a) and 1,3,4-oxadiazole moiety (1b, 2b, 3b) was prepared and characterized by HRMS, 1H and 13C NMR spectroscopy, as well as X-ray diffraction. The inspection of the crystal structures of (1–3)a,b and the Hirshfeld surface analysis made possible the recognition of the (oxadiazole)···(pyridine) and (oxadiazole)···(oxadiazole) interactions. The presence of these interactions was confirmed theoretically by DFT calculations, including NCI analysis for experimentally determined crystal structures as well as QTAIM analysis for optimized equilibrium structures. The preformed database survey allowed the verification of additional examples of relevant (oxadiazole)···π interactions both in Cambridge Structural Database and in Protein Data Bank, including the cocrystal of commercial anti-HIV drug Raltegravir.
APA, Harvard, Vancouver, ISO, and other styles
12

Gerhardt, Valeska, and Michael Bolte. "6-Chloroisocytosine and 5-bromo-6-methylisocytosine: again, one or two tautomers present in the same crystal?" Acta Crystallographica Section C Structural Chemistry 72, no. 1 (January 1, 2016): 84–93. http://dx.doi.org/10.1107/s2053229615024080.

Full text
Abstract:
It is well known that pyrimidin-4-one derivatives are able to adopt either the 1H- or the 3H-tautomeric form in (co)crystals, depending on the coformer. As part of ongoing research to investigate the preferred hydrogen-bonding patterns of active pharmaceutical ingredients and their model systems, 2-amino-6-chloropyrimidin-4-one and 2-amino-5-bromo-6-methylpyrimidin-4-one have been cocrystallized with several coformers and with each other. Since Cl and Br atoms both have versatile possibilities to interact with the coformers, such asviahydrogen or halogen bonds, their behaviour within the crystal packing was also of interest. The experiments yielded five crystal structures, namely 2-aminopyridin-1-ium 2-amino-6-chloro-4-oxo-4H-pyrimidin-3-ide–2-amino-6-chloropyrimidin-4(3H)-one (1/3), C5H7N2+·C4H3ClN3O−·3C4H4ClN3O, (Ia), 2-aminopyridin-1-ium 2-amino-6-chloro-4-oxo-4H-pyrimidin-3-ide–2-amino-6-chloropyrimidin-4(3H)-one–2-aminopyridine (2/10/1), 2C5H7N2+·2C4H3ClN3O−·10C4H4ClN3O·C5H6N2, (Ib), the solvent-free cocrystal 2-amino-5-bromo-6-methylpyrimidin-4(3H)-one–2-amino-5-bromo-6-methylpyrimidin-4(1H)-one (1/1), C5H6BrN3O·C5H6BrN3O, (II), the solvate 2-amino-5-bromo-6-methylpyrimidin-4(3H)-one–2-amino-5-bromo-6-methylpyrimidin-4(1H)-one–N-methylpyrrolidin-2-one (1/1/1), C5H6BrN3O·C5H6BrN3O·C5H9NO, (III), and the partial cocrystal 2-amino-5-bromo-6-methylpyrimidin-4(3H)-one–2-amino-5-bromo-6-methylpyrimidin-4(1H)-one–2-amino-6-chloropyrimidin-4(3H)-one (0.635/1/0.365), C5H6BrN3O·C5H6BrN3O·C4H4ClN3O, (IV). All five structures showR22(8) hydrogen-bond-based patterns, either by synthon 2 or by synthon 3, which are related to the Watson–Crick base pairs.
APA, Harvard, Vancouver, ISO, and other styles
13

Kumari, Nimmy, and Animesh Ghosh. "Cocrystallization: Cutting Edge Tool for Physicochemical Modulation of Active Pharmaceutical Ingredients." Current Pharmaceutical Design 26, no. 38 (October 27, 2020): 4858–82. http://dx.doi.org/10.2174/1381612826666200720114638.

Full text
Abstract:
Cocrystallization is a widely accepted and clinically relevant technique that has prospered very well over the past decades to potentially modify the physicochemical properties of existing active pharmaceutic ingredients (APIs) without compromising their therapeutic benefits. Over time, it has become an integral part of the pre-formulation stage of drug development because of its ability to yield cocrystals with improved properties in a way that other traditional methods cannot easily achieve. Cocrystals are solid crystalline materials composed of two or more than two molecules which are non-covalently bonded in the same crystal lattice. Due to the continuous efforts of pharmaceutical scientists and crystal engineers, today cocrystals have emerged as a cutting edge tool to modulate poor physicochemical properties of APIs such as solubility, permeability, bioavailability, improving poor mechanical properties and taste masking. The success of cocrystals can be traced back by looking at the number of products that are getting regulatory approval. At present, many cocrystals have obtained regulatory approval and they successfully made into the market place followed by a fair number of cocrystals that are currently in the clinical phases. Considering all these facts about cocrystals, the formulation scientists have been inspired to undertake more relevant research to extract out maximum benefits. Here in this review cocrystallization technique will be discussed in detail with respect to its background, different synthesis approaches, synthesis mechanism, application and improvements in drug delivery systems and its regulatory perspective.
APA, Harvard, Vancouver, ISO, and other styles
14

Timofeeva, Tatiana, Sofia Antal, Sergiu Draguta, Karla Ordonez, Raul Castaneda, and Evgeniya Leonova. "Cocrystallization of acetaminophen and glutaric acid with different coformers." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1028. http://dx.doi.org/10.1107/s2053273314089712.

Full text
Abstract:
Recently cocrystallization became a popular tool for crystal engineering that allows, for instance, improving properties of pharmaceutical materials, creating new materials for nonlinear optical applications and solar cell technologies. To attract students to crystallographic studies we carried out project that included crystal growth of two series of cocrystals with acetaminophen and with dicarbonic glutaric acid. We attempted cocrystallization of acetaminophen with more than ten different coformers which gave no cocrystals or salts. However, as a result of cocrystallization we obtained new polymorph modification of hydroxyquinoline. On the contrary, cocrystallization of glutaric acid with basic organic compounds gave several new salts. Interesting examples among them are systems of glutaric acid with 2-pyridinamine and with 6-methyl-2-pyridinamine. In spite of the presence of the same substituents that are prone to H-bond formation, cocrystals have different H-bonding systems and even different molecular conformation of glutaric acid. Details of physical properties, such as spectral characteristics and melting points, of obtained multicomponent materials are discussed.
APA, Harvard, Vancouver, ISO, and other styles
15

Mikhailovskaya, Anastasiya Vital'yevna, Svetlana Anatol'yevna Myz, Konstantin Borisovich Gerasimov, Svetlana Alekseyevna Kuznetsova, and Tat'yana Petrovna Shakhtshneider. "SYNTHESIS OF COCRYSTALS OF BETULIN WITH SUBERIC ACID AND STUDY OF THEIR PROPERTIES." chemistry of plant raw material, no. 4 (December 14, 2021): 183–92. http://dx.doi.org/10.14258/jcprm.2021049736.

Full text
Abstract:
Lupane triterpenoids, betulin and its derivatives, are attracting great interest due to their wide range of biological and pharmacological activities. However, the poor solubility of betulin and its derivatives in aqueous media significantly reduces their bioavailability. Obtaining cocrystals, that is, multicomponent crystal systems containing active pharmaceutical ingredients and non-toxic partner molecules in their structure, is used in pharmacy to change the physicochemical properties of drugs, including the rate of dissolution and solubility. In this study, cocrystals of betulin with suberic acid were obtained by liquid-assisted grinding method using organic solvents of different polarity: ethanol, acetone, ethyl acetate, chloroform, toluene, dioxane. The formation of cocrystals was confirmed by X-ray diffraction analysis, IR spectroscopy, and thermal analysis. It has been shown that cocrystals of betulin with suberic acid contain water molecules in their structure; anhydrous cocrystals can be obtained by heating a physical mixture of reagents until the acid melts. The results of experiments on the dissolution of cocrystals of betulin with suberic acid in comparison with the data for cocrystals of betulin with adipic acid showed that an increase in the length of the aliphatic acid chain leads to a decrease in the rate of betulin release into solution.
APA, Harvard, Vancouver, ISO, and other styles
16

Palanisamy, Vasanthi, Palash Sanphui, Muthuramalingam Prakash, and Vladimir Chernyshev. "Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study." Acta Crystallographica Section C Structural Chemistry 75, no. 8 (July 9, 2019): 1102–17. http://dx.doi.org/10.1107/s2053229619008829.

Full text
Abstract:
Lesinurad (systematic name: 2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, C17H14BrN3O2S) is a selective uric acid reabsorption inhibitor related to gout, which exhibits poor aqueous solubility. High-throughput solid-form screening was performed to screen for new solid forms with improved pharmaceutically relevant properties. During polymorph screening, we obtained two solvates with methanol (CH3OH) and ethanol (C2H5OH). Binary systems with caffeine (systematic name: 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, C8H10N4O2) and nicotinamide (C6H6N2O), polymorphs with urea (CH4N2O) and eutectics with similar drugs, like allopurinol and febuxostat, were prepared using the crystal engineering approach. All these novel solid forms were confirmed by XRD, DSC and FT–IR. The crystal structures were solved by single-crystal and powder X-ray diffraction. The crystal structures indicate that the lesinurad molecule is highly flexible and the triazole moiety, along with the rotatable thioacetic acid (side chain) and cyclopropane ring, is almost perpendicular to the planar naphthalene moiety. The carboxylic acid–triazole heterosynthon in the drug is interrupted by the presence of methanol and ethanol molecules in their crystal structures and forms intermolecular macrocyclic rings. The caffeine cocrystal maintains the consistency of the acid–triazole heterosynthons as in the drug and, in addition, they are bound by several auxiliary interactions. In the binary system of nicotinamide and urea, the acid–triazole heterosynthon is replaced by an acid–amide synthon. Among the urea cocrystal polymorphs, Form I (P\overline{1}, 1:1) consists of an acid–amide (urea) heterodimer, whereas in Form II (P21/c, 2:2), both acid–amide heterosynthons and urea–urea dimers co-exist. Density functional theory (DFT) calculations further support the experimentally observed synthon hierarchies in the cocrystals. Aqueous solubility experiments of lesinurad and its binary solids in pH 5 acetate buffer medium indicate the apparent solubility order lesinurad–urea Form I (43-fold) > lesinurad–caffeine (20-fold) > lesinurad–allopurinol (12-fold) ≃ lesinurad–nicotinamide (11-fold) > lesinurad, and this order is correlated with the crystal structures.
APA, Harvard, Vancouver, ISO, and other styles
17

Lloyd, Hayleigh, Colin Pulham, Paul Coster, Craig Henderson, David Williamson, and Andy Jardine. "Energetic Cocrystals – Structural Studies of Nitrotriazolone Salts & Cocrystals." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1012. http://dx.doi.org/10.1107/s2053273314089876.

Full text
Abstract:
Developments in energetic materials are currently focused on the requirements for safer, yet still powerful materials for uses within mining, munitions and rocket propulsion systems One strategy that can be used to achieve these desirable properties is to synthesise new molecules, but this is both time-consuming and resource-intensive. Instead, another strategy is to crystallise energetic molecules with other molecules to form salts or cocrystals. This approach has been used extensively within the pharmaceutical industry in order to enhance desirable properties, e.g. solubility and bioavailability. To date, however, there has been very little research on the cocrystallisation of energetic materials. Examples include trinitrotoluene (TNT) with pyrene, naphthalene, and CL-20. To start this design process, the relationships between the types and strengths of interactions within a crystal structure and materials properties need to be established. Once these structure-property relationships have been established, the engineering of new and improved energetic materials can be achieved. The main focus of this work is on the energetic material 3-nitro-1,2,4-triazol-5-one (NTO) and the characterisation of a selection of new salts and cocrystals. NTO is an insensitive high explosive that has a similar performance to the more widely used explosive, RDX, yet is more stable, less prone to accidental detonation, and more soluble in water. Its high solubility in water is a major issue, as NTO is biologically active and represents a potential risk to the environment. There are only a few known salts of NTO and no published cocrystals, so the design and preparation of the first NTO cocrystals is a key objective. A selection of crystal structures of salts and cocrystals of NTO with nitrogen-rich aromatic systems has been obtained and the results are presented here. Interesting trends between pKa, functional groups, and intermolecular interactions have been observed.
APA, Harvard, Vancouver, ISO, and other styles
18

Berry, David J., and Jonathan W. Steed. "Pharmaceutical cocrystals, salts and multicomponent systems; intermolecular interactions and property based design." Advanced Drug Delivery Reviews 117 (August 2017): 3–24. http://dx.doi.org/10.1016/j.addr.2017.03.003.

Full text
APA, Harvard, Vancouver, ISO, and other styles
19

Sanphui, Palash, Lalit Rajput, Shanmukha Prasad Gopi, and Gautam R. Desiraju. "New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 72, no. 3 (May 13, 2016): 291–300. http://dx.doi.org/10.1107/s2052520616003607.

Full text
Abstract:
Erlotinib is a BCS (biopharmaceutical classification system) class II drug used for the treatment of non-small cell lung cancer. There is an urgent need to obtain new solid forms of higher solubility to improve the bioavailability of the API (active pharmaceutical ingredient). In this context, cocrystals with urea, succinic acid, and glutaric acid and salts with maleic acid, adipic acid, and saccharin were preparedviawet granulation and solution crystallizations. Crystal structures of the free base (Z′ = 2), cocrystals of erlotinib–urea (1:1), erlotinib–succinic acid monohydrate (1:1:1), erlotinib–glutaric acid monohydrate (1:1:1) and salts of erlotinib–adipic acid adipate (1:0.5:0.5) are determined and their hydrogen-bonding patterns are analyzed. Self recognitionviathe (amine) N—H...N (pyridine) hydrogen bond between the API molecules is replaced by several heterosynthons such as acid–pyridine, amide–pyridine and carboxylate–pyridinium in the new binary systems. Auxiliary interactions play an important role in determining the conformation of the API in the crystal. FT–IR spectroscopy is used to distinguish between the salts and cocrystals in the new multi-component systems. The new solid forms are characterized by powder X-ray diffraction (PXRD) and differential scanning calorimetry (DSC) to confirm their unique phase identity.
APA, Harvard, Vancouver, ISO, and other styles
20

Dutt, Braham, Manjusha Choudhary, and Vikas Budhwar. "A Comparative Study of Selected Drug Delivery Systems: Key Emphasis on Cocrystallization." Drug Delivery Letters 11, no. 2 (June 28, 2021): 136–55. http://dx.doi.org/10.2174/2210303111666210111142458.

Full text
Abstract:
The low solubility of an active pharmaceutical ingredient particularly biopharmaceutics classification system (BCS) Class II drugs leads to a lower dissolution profile, which in result causes a reduction in the overall bioavailability of drugs. Numerous approaches like nanotechnology, solid dispersion technique, micronization techniques, etc were aimed by scientists in the past to resolve this issue, but still not enough to get the desired outcomes. Key focus of this review is the study of the advantages and disadvantages of cocrystallization, nanotechnology and solid dispersions drug delivery techniques and the benefits of using cocrystallization techniques over the above-mentioned techniques. Various parameters including pharmaceutical, pharmacological and toxicological effects related to these mentioned drug delivery systems have been compared. Their advantages and disadvantages have been elaborated. For drug delivery purpose, the cocrystallization process has numerous advantages over nanotechnology and solid dispersions drug delivery techniques discussed in the text. Cocrystallization is a newer technique that can modify the physicochemical and pharmaceutical properties of active pharmaceutical ingredients (API) with low solubility, low stability or sensitivity toward environmental hazards like temperature, moisture or photostability issues. During cocrystallization, the drug and the coformer interact with each other non-covalently in a fixed stoichiometric ratio. The availability of a large number of coformers makes this technique to be favorable for the researchers in designing cocrystals of newer and older API’s. Although solid dispersions and nanotechnology techniques are being utilized to a larger extent, still there are some drawbacks of these techniques like stability, toxicological factors and protection from environmental factors that need to be considered, while the cocrystallization process drastically modifies the various pharmaceutical parameters without altering the pharmacological properties of API’s. Here in this review, we performed a comparative analysis between nanotechnology, solid dispersion and cocrystallization techniques along with the importance of cocrystallization in the modification of drug profile and various applications in the pharmaceutical and allied industry.
APA, Harvard, Vancouver, ISO, and other styles
21

Aljohani, Marwah, Pól MacFhionnghaile, Patrick McArdle, and Andrea Erxleben. "Investigation of the formation of drug-drug cocrystals and coamorphous systems of the antidiabetic drug gliclazide." International Journal of Pharmaceutics 561 (April 2019): 35–42. http://dx.doi.org/10.1016/j.ijpharm.2019.02.024.

Full text
APA, Harvard, Vancouver, ISO, and other styles
22

Lopez-Toledano, Miguel A., Vaibhav Saxena, Jason D. Legassie, Haiyang Liu, Ajay Ghanta, Stephen Riseman, Courtney Cocilova, et al. "Advanced Lipid Technologies® (ALT®): A Proven Formulation Platform to Enhance the Bioavailability of Lipophilic Compounds." Journal of Drug Delivery 2019 (July 8, 2019): 1–10. http://dx.doi.org/10.1155/2019/1957360.

Full text
Abstract:
Despite recent advances, the drug development process continues to face significant challenges to efficiently improve the poor solubility of active pharmaceutical ingredients (API) in aqueous media or to improve the bioavailability of lipid-based formulations. The inherent high intra- and interindividual variability of absorption of oral lipophilic drug leads to inconsistent and unpredictable bioavailability and magnitude of the therapeutic effect. For this reason, the development of lipid-based drugs remains a challenging endeavour with a high risk of failure. Therefore, effective strategies to assure a predictable, consistent, and reproducible bioavailability and therapeutic effect for lipid-based medications are needed. Different solutions to address this problem have been broadly studied, including the approaches of particle size reduction, prodrugs, salt forms, cocrystals, solid amorphous forms, cyclodextrin clathrates, and lipid-based drug delivery systems such as self-emulsifying systems and liposomes. Here, we provide a brief description of the current strategies commonly employed to increase the bioavailability of lipophilic drugs and present Advanced Lipid Technologies® (ALT®), a combination of different surfactants that has been demonstrated to improve the absorption of omega-3 fatty acids under various physiological and pathological states.
APA, Harvard, Vancouver, ISO, and other styles
23

Sutar, Yogesh, Tejabhiram Yadavalli, Sagar Kumar Paul, Sudipta Mallick, Raghuram Koganti, Harsh Chauhan, Abhijit A. Date, and Deepak Shukla. "BX795-Organic Acid Coevaporates: Evaluation of Solid-State Characteristics, In Vitro Cytocompatibility and In Vitro Activity against HSV-1 and HSV-2." Pharmaceutics 13, no. 11 (November 12, 2021): 1920. http://dx.doi.org/10.3390/pharmaceutics13111920.

Full text
Abstract:
BX795 is a TANK binding kinase-1 inhibitor that has shown excellent therapeutic activity in murine models of genital and ocular herpes infections on topical delivery. Currently, only the BX795 free base and its hydrochloride salt are available commercially. Here, we evaluate the ability of various organic acids suitable for vaginal and/or ocular delivery to form BX795 salts/cocrystals/co-amorphous systems with the aim of facilitating pharmaceutical development of BX795. We characterized BX795-organic acid coevaporates using powder X-ray diffractometry, Fourier-transform infrared spectroscopy (FT-IR), Raman spectroscopy, 1H-nuclear magnetic resonance spectroscopy, thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC) to elucidate the interaction between BX795 and various organic acids such as taurine, maleic acid, fumaric acid, tartaric acid, and citric acid. Furthermore, using human corneal epithelial cells and HeLa cells, we evaluated BX795-organic acid coevaporates for in vitro cytocompatibility and in vitro antiviral activity against herpes simplex virus-type 1 (HSV-1) and type-2 (HSV-2). Our studies indicate that BX795 forms co-amorphous systems with tartaric acid and citric acid. Interestingly, the association of organic acids with BX795 improved its thermal stability. Our in vitro cytocompatibility and in vitro antiviral studies to screen suitable BX795-organic acid coevaporates for further development show that all BX795-organic acid systems, at a concentration equivalent to 10 µM BX795, retained antiviral activity against HSV-1 and HSV-2 but showed differential cytocompatibility. Further, dose-dependent in vitro cytocompatibility and antiviral activity studies on the BX795-fumaric acid system, BX795-tartaric acid co-amorphous system, and BX795-citric acid co-amorphous system show similar antiviral activity against HSV-1 and HSV-2 compared to BX795, whereas only the BX795-citric acid co-amorphous system showed higher in vitro cytocompatibility compared to BX795.
APA, Harvard, Vancouver, ISO, and other styles
24

Vener, Mikhail V., Denis E. Makhrov, Alexander P. Voronin, and Daria R. Shalafan. "Molecular Dynamics Simulation of Association Processes in Aqueous Solutions of Maleate Salts of Drug-Like Compounds: The Role of Counterion." International Journal of Molecular Sciences 23, no. 11 (June 4, 2022): 6302. http://dx.doi.org/10.3390/ijms23116302.

Full text
Abstract:
The study of the formation of microstructures during the interaction of a protonated drug-like compound (API) with a maleic acid monoanion sheds light on the assembly processes in an aqueous solution at the molecular level. Molecular dynamics (MD) simulations coupled with density functional theory (DFT) calculations made it possible to find initial hydrogen bonding motifs during the assembly process, leading to the formation of heterodimers and trimers. The process of trimer formation [protonated API—maleic acid monoanion—protonated API] proceeds through the formation of three intermolecular H-bonds by the CO2− group of the maleic acid monoanion in both systems. The total enthalpy/energy of these H-bonds is more than 70 kJ/mol. Thus, the maleic acid monoanion plays a key role in the processes of association in aqueous solution, and the interaction of the maleic acid monoanion with API is more preferable than the interaction of API molecules with each other. DFT computations in the discrete continuum approximation reveal the spectral features of heterodimers and trimers, and the ATR-IR spectra confirmed these findings. MD simulations followed by DFT calculations made it possible to describe the initial stages of the formation of pharmaceutical cocrystals in an aqueous solution.
APA, Harvard, Vancouver, ISO, and other styles
25

Vaghela, Sohansinh, Sunita Chaudhary, and Ankit Chaudhary. "A Systemic Review on the Self Micro Emulsifying Drug Delivery System." International Journal of Pharmaceutical Sciences Review and Research 69, no. 1 (July 15, 2021). http://dx.doi.org/10.47583/ijpsrr.2021.v69i01.027.

Full text
Abstract:
Comfort direction and painless method made oral route the most favored. Mainstream of recent active constituents have less oral bioavailability because of dissolution rate limited absorption. While many inventive methods like complexation, cocrystals exist, solid dispersions, pH modification and, lipid-based delivery systems conclusively improved appliance with the seeming rise in drug absorption. Among lipid-based formulations, self-micro emulsifying formulations (SMEDDS) (droplet size < 100 nm) are evident to enhance permeation across intestinal membrane, protection of drug against gastric effect, unit dosage is possible, increased bioavailability of drug, reduces the dose of drug etc. Numerous components are used to formulate these dosage forms like Oil, surfactants, Co-surfactant and lipids mixture contribute to the enhancement in oral bioavailability through promoting the lymphatic passage; thus, hepatic first pass metabolism can be overcoming. The present review highlights comprehensive information on the formulation design, probable mechanisms and characterization of SMEDDS
APA, Harvard, Vancouver, ISO, and other styles
We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!

To the bibliography