Relevant bibliographies by topics / Structure-activity relationships

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Structure-activity relationships'

Author: Grafiati
Published: 4 June 2021
Last updated: 29 July 2024

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Journal articles on the topic "Structure-activity relationships"

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Dodge, J. A. "Structure/activity relationships." Pure and Applied Chemistry 70, no. 9 (September 1, 1998): 1725–33. http://dx.doi.org/10.1351/pac199870091725.

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Luke, B. T. "Fuzzy structure-activity relationships." SAR and QSAR in Environmental Research 14, no. 1 (January 1, 2003): 41–57. http://dx.doi.org/10.1080/1062936021000058773.

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Tavio, M. M., G. A. Jacoby, and D. C. Hooper. "QnrS1 structure-activity relationships." Journal of Antimicrobial Chemotherapy 69, no. 8 (April 11, 2014): 2102–9. http://dx.doi.org/10.1093/jac/dku102.

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Lavelle, F. "Taxoids: Structure-activity relationships." Pharmacological Research 31 (January 1995): 23. http://dx.doi.org/10.1016/1043-6618(95)86351-6.

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Basketter, D. A. "Quantitative structure-activity relationships." Toxicology in Vitro 3, no. 4 (January 1989): 351–53. http://dx.doi.org/10.1016/0887-2333(89)90044-1.

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Bottalico, Antonio, Renato Capasso, Antonio Evidente, Giacomino Randazzo, and Maurizio Vurro. "Cytochalasins: Structure-activity relationships." Phytochemistry 29, no. 1 (January 1990): 93–96. http://dx.doi.org/10.1016/0031-9422(90)89018-5.

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Carroll, F. Ivy. "Epibatidine structure–activity relationships." Bioorganic & Medicinal Chemistry Letters 14, no. 8 (April 2004): 1889–96. http://dx.doi.org/10.1016/j.bmcl.2004.02.007.

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Kim, Pilho, Sunhee Kang, Helena I. Boshoff, Jan Jiricek, Margaret Collins, Ramandeep Singh, Ujjini H. Manjunatha, et al. "Structure−Activity Relationships of Antitubercular Nitroimidazoles. 2. Determinants of Aerobic Activity and Quantitative Structure−Activity Relationships." Journal of Medicinal Chemistry 52, no. 5 (March 12, 2009): 1329–44. http://dx.doi.org/10.1021/jm801374t.

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Jacob, Vaya, Tavori Hagai, and Khatib Soliman. "Structure-Activity Relationships of Flavonoids." Current Organic Chemistry 15, no. 15 (August 1, 2011): 2641–57. http://dx.doi.org/10.2174/138527211796367309.

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Etayash, Hashem, Sarfuddin Azmi, Ramana Dangeti, and Kamaljit Kaur. "Peptide Bacteriocins - Structure Activity Relationships." Current Topics in Medicinal Chemistry 16, no. 2 (September 22, 2015): 220–41. http://dx.doi.org/10.2174/1568026615666150812121103.

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Dissertations / Theses on the topic "Structure-activity relationships"

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Stewart, Charlotte. "Structure activity relationships of bisphosphonate analogues." Thesis, University of Aberdeen, 2010. http://digitool.abdn.ac.uk:80/webclient/DeliveryManager?pid=128207.

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The nitrogen-containing bisphosphonates (NBPs) are the most widely used treatment for diseases involving excessive osteoclastic bone resorption, such as osteoporosis. The clinical efficacy of NBPs is due in large part to their affinity for bone mineral, but it has been suggested that lowering affinity may have benefits due to altered distribution and duration of action possibly allowing direct anti-tumour effects. In addition, the phosphonocarboxylate (PC) analogues inhibit prenylation more selectively through a different enzyme target, Rab geranylgeranyl transferase (RGGT), which may offer additional benefits by reducing side-effects associated with farnesyl diphosphate synthase (FPPS) inhibition. Using fluorescent analogues of PCs and NBPs demonstrated that mineral affinity not only affects initial bone-binding, but also influences desorption, reattachment and penetration at the bone surface, suggesting that lower affinity compounds have lower retention and increased access to other cell types, such as tumour cells. The work presented aimed to investigate the potential of low affinity analogues by characterising their intracellular potency for inhibiting their target enzymes. The results showed that modification to the phosphonate groups to produce phosphonoalkylphosphinate analogues reduced potency for inhibiting FPPS. By contrast, removal of one of the phosphonate groups to give a monophosphonate changed the target enzyme to RGGT. Modifications to the R1 side-chain (substituting with hydrogen or a halogen) of both NBPs and PCs were studied and showed contrasting results, modifications to the R1 side-chain of NBPs affect their ability to inhibit FPPS whereas the same modification to PCs is insignificant for inhibiting RGGT. This showed the distinction between the structural requirements for inhibition of RGGT and FPPS and furthers the understanding of the structure-activity relationships of both NBPs and PCs which could guide future drug design. Within this thesis the most potent inhibitor of RGGT to date, 3-IPEHPC, was characterised which in addition to having therapeutic potential may be used as tool to investigate the importance of Rab prenylation for cellular function.
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Shahbakhti, Hassan. "Structure/activity relationships of antitumour diazridinylquinones." Thesis, University of Salford, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.308289.

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McFadyen, Iain James. "Structure-activity relationships of opioid ligands." Thesis, Loughborough University, 1999. https://dspace.lboro.ac.uk/2134/33189.

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There are three different types of opioid receptor, namely mu, delta and kappa. Morphine and related clinically useful analgesics exert their actions through the mu opioid receptor. Such compounds represent a huge structural diversity, including both peptides and alkaloids. Nevertheless, there exists a common pharmacophore comprising two critical features, namely an amine nitrogen and an aromatic ring, usually with a hydroxyl substituent; the spatial relationship between them is also vital.
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Moore, Madeleine Henrietta. "Structure-activity relationships in Werner clathrates." Doctoral thesis, University of Cape Town, 1987. http://hdl.handle.net/11427/17038.

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The synthesis and characterization of a series of inorganic coordination compounds which, upon crystallization, have the ability to include solvent or guest molecules spatially within the lattice are reported. The compounds have the following general formula: [NiX2B4] - where X is isothiocyanate or bromine and B is 4-ethylpyridine, 4-vinylpiridine or 3,5-dimethylpyridine; [NiX2B2]n - where X is isothiocyanate, B is 2-aminopyridine and n indicates it is a polymer; [NiX2AB2]2 - where X is isothiocyanate, B is 3-aminopyridine (two of these four ligands in the dimer are bridging) and A is water. The various guest molecules have been carefully chosen, according to their point symmetry, which is a key factor in yielding structures of a particular type. The structures of seventeen compounds have been elucidated by single crystal x-ray analysis. The difficulty has been found to lie in refining disordered guest molecules. Other techniques employed in the initial characterization of these compounds are Microanalysis, Mass Spectrometry and UV/Visible Spectrophotometry. An intramolecular potential energy study on the [Ni(NCS)2(3,5-diMepy)4] complex reveals that the orthohydrogens on the 3,5-dimethylpyridine ligands control the conformation of the molecule. Packing densities and volume comparisons of the [Ni(NCS)2(4-Etpy)4] and [Ni(NCS)2(4-Vipy)4] complexes and their clathrates have been carried out. The exact sizes and shapes of the cavities in which the guest molecules are located in the x-ray crystal structures have been evaluated by both intermolecular potential energy and molecular volume calculations. Thermodynamic and spectroscopic properties of the [Ni(NCS)2(4-Etpy)4] and [Ni(NCS)2(4-Vipy)4] clathrates have been studied in both solution and the solid state. The techniques used are x-ray powder diffractometry, IR spectroscopy and Thermogravimetry (including Differential Thermal Analysis).
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Wong, Fred Tuck Khai. "Structure-activity relationships of cardiac glycosides." Thesis, The University of Sydney, 1989. https://hdl.handle.net/2123/26271.

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It is over 200 years since William Hithering published his famous treatise on the use of the foxglove. Since that time, digitalis has been in continuous use as a therapeutic agent, and, although its efficacy has often been challenged it continues to occupy a central role in the treatment of chronic congestive heart failure. Interest in digitalis has been sustained by its therapeutic use and by the scientific interest in its mode of action. The cardiac glycosides, generally referred to by the generic name of digitalis, are unique inhibitors of the enzyme Na*, K*-ATPase. This enzyme is found in the plasma membrane of all eukaryotic cells where it acts as a transmembrane pump that couples the outward transport of Na+ with the inward transport of K*. As a result of this action, Na*, K*-ATPase plays an important role in cell homeostasis and makes a major contribution to the maintenance of the transmembrane resting potential. Such important cellular properties as excitability and conduction of electrical impulses depend very much on the action of Na*, K*-ATPase.
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Centani, Luyanda. "Structure activity and structure property relationships of antimalarial imidazopyridazines." Master's thesis, Faculty of Science, 2019. http://hdl.handle.net/11427/31315.

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Malaria is one of the most pressing human health issues. Despite being an ancient disease, it is estimated to have an annual death rate of 445 000 with out of 216 million malaria related cases in 2016. Malaria is most widespread in developing regions of the world. Forty percent of the world’s population is exposed to varying degrees of malaria. Malaria is caused by different species of the Plasmodium genus and the disease is vector-borne. The disease may be cured if diagnosed early. Most drugs that were once effective in the treatment of malaria have become ineffective due to the emergence of resistance, which has become the main driving force behind efforts to discover and develop new drugs able to circumvent the resistance. Imidazopyridazines have been shown to have potent antiplasmodium activity. The lead compound MMV652103 has been shown to display potent activity against the multidrug resistant K1 strain and the drug sensitive NF54 strain of the human malaria parasite Plasmodium falciparum. However, the majority of the antimalarial imidazopyridazine compounds evaluated to date have solubility and off-target human ether-a-go-go-related gene (hERG) potassium ion channel liabilities. Towards improving solubility and de-risking the hERG liability, a series of analogues was designed and synthesised. Structure-Activity Relationship (SAR) and Structure-Property Relationship (SPR) studies aimed at retaining the good antiplasmodium activity while improving solubility and reducing hERG channel inhibition, were conducted. Previous studies conducted on this series of imidazopyridazines have shown that incorporation of hydrogen bond donors or acceptors resulted in improving solubility and hERG channel inhibition. While the lead compound MMV652103 at pH 6.5 has a sub-optimal solubility of 5 µM, all target compounds showed an improvement in solubility. Five analogues 59, 78, 84, 85, and 86 exhibiting impressive in vitro asexual blood stage antiplasmodium potency (IC50< 100 nM) and aqueous solubility (> 200 µM) were identified from the study. The identified compounds also displayed good activity against the sexual late-stage gametocytes, the transmissible forms of the parasite.
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Price, Craig Justin. "Structure-activity relationships in olefin polymerization catalysts." [College Station, Tex. : Texas A&M University, 2007. http://hdl.handle.net/1969.1/ETD-TAMU-1678.

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Holmes, Victoria. "Structure activity relationships of cytochrome P450 4A1." Thesis, University of Nottingham, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.289361.

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Hargreaves, Martin Bernard. "Substrate structure activity relationships of cytochrome P4502E1." Thesis, University of Leicester, 1995. http://hdl.handle.net/2381/35247.

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Morsman, Janine M. "Structure-activity relationships (SAR) for cytochrome P4502C9." Thesis, University of Aberdeen, 1999. http://digitool.abdn.ac.uk/R?func=search-advanced-go&find_code1=WSN&request1=AAIU536139.

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In this project, an SAR approach was used to assess the putative active site interactions, using analogues of phenytoin (a co-regulated substrate), sulfaphenazole (CYP2C9-specific inhibitor) and bis-triazole antifungals (thought to exhibit less specific inhibition). Ki values were determined for the inhibition of tolbutamide methylhydroxylation. N2 of phenytoin is a postulated H-bond donor. Substitution (CH3 or NH2), reduced inhibitory potency from 46 μM to 74 μM and 98 μM, respectively. Inhibition was competitive. Removal of a phenyl ring removed inhibitory potential, suggesting that an aromatic interaction (π-π stacking) is more influential than the H-bonding. Replacement with a fused-ring structure enhanced potency (Ki = 25 μM). Inhibition was non-competitive, which may be explained by the overall bulk of these analogues, together with less directional lipophilic/π-π stacking interactions. A putative active site model could feature a H-bond acceptor site, a lipophilic pocket, haem interaction with the site of oxidation, and π-π stacking with an appropriate phenyl ring. Sulfaphenazole and methysulfaphenazole (CH2 instead of NH2) were the most potent analogues (Ki values of 0.82 μM and 0.39 μM). Removal of the pyrazole group reduced potency (Ki = 91 μM), as a CYP2C9-haem interaction was prevented (type II difference spectra). Additionally, the N-phenyl function may undergo hydrophobic binding and/or π-π stacking. The bis-triazoles also produced type II spectra, which indicates a haem-ligand interaction (N4 triazole lone pair electrons). Inhibition was non-competitive. The triazole was the dominant determinant of potency, as seen by relatively small decreases in potency on substitution of a proposed H-bonding site. In conclusion, the above work indicates interactions consistent with previous CYP2C9 active site models. SAR data suggest a predominance of lipophilic and π-π stacking interactions, and CYP2C9-haem liganding (if appropriate). Hydrogen-bonding also has a significant role.
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Books on the topic "Structure-activity relationships"

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S, Rapaka Rao, Makriyannis Alexandros, and National Institute on Drug Abuse., eds. Structure-activity relationships of the cannabinoids. Rockville, Md: U.S. Dept. of Health and Human Services, Public Health Service, Alcohol, Drug Abuse, and Mental Health Administration, National Institute on Drug Abuse, 1987.

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Nendza, Monika. Structure—Activity Relationships in Environmental Sciences. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-5805-7.

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S, Rapaka Rao, Makriyannis Alexandros, and National Institute on Drug Abuse., eds. Structure-activity relationships of the cannabinoids. Rockville, Md: National Institute on Drug Abuse, 1987.

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S, Rapaka Rao, Makriyannis Alexandros, and National Institute on Drug Abuse., eds. Structure-activity relationships of the cannabinoids. Rockville, Md: U.S. Dept. of Health and Human Services, Public Health Service, Alcohol, Drug Abuse, and Mental Health Administration, National Institute on Drug Abuse, 1987.

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S, Rapaka Rao, Makriyannis Alexandros, and National Institute on Drug Abuse, eds. Structure-activity relationships of the cannabinoids. Rockville, Md: U.S. Dept. of Health and Human Services, Public Health Service, Alcohol, Drug Abuse, and Mental Health Administration, National Institute on Drug Abuse, 1987.

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S, Rapaka Rao, Makriyannis Alexandros, and National Institute on Drug Abuse, eds. Structure-activity relationships of the cannabinoids. Rockville, Md: U.S. Dept. of Health and Human Services, Public Health Service, Alcohol, Drug Abuse, and Mental Health Administration, National Institute on Drug Abuse, 1987.

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Nendza, Monika. Structure-activity relationships in environmental sciences. London: Chapman & Hall, 1998.

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Shahbakhti, Hassan. Structure/activity relationships of antitumour diaziridinylquinones. Salford: University of Salford, 1996.

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1941-, Yang Shen K., and Silverman B. D, eds. Polycyclic aromatic hydrocarbon carcinogenesis: Structure-activity relationships. Boca Raton, Fla: CRC Press, 1988.

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H, Zaidi Zafar, Smith David L, and International Symposium on Protein Structure-Function Relationship (4th : 1995 : Karachi, Pakistan), eds. Protein structure--function relationship. New York: Plenum Press, 1996.

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Book chapters on the topic "Structure-activity relationships"

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von Angerer, E. "Structure-Activity Relationships." In Estrogens and Antiestrogens I, 81–108. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-58616-3_5.

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Lakshmanan, Mageshwaran. "Structure-Activity Relationships." In Introduction to Basics of Pharmacology and Toxicology, 205–19. Singapore: Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-32-9779-1_13.

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Klebe, Gerhard. "Quantitative Structure–Activity Relationships." In Drug Design, 371–96. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_18.

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Page, M. I. "Structure-activity relationships: chemical." In The Chemistry of β-Lactams, 79–100. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2928-2_2.

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Neu, H. C. "Structure-activity relationships: biological." In The Chemistry of β-Lactams, 101–28. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2928-2_3.

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Marquez, Victor E. "Structure-Activity Relationships (SAR)." In The Ups and Downs in Drug Design, 1–10. Boca Raton: CRC Press, 2021. http://dx.doi.org/10.1201/9781003203506-2.

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Erhardt, Paul W. "Endothelin Structure and Structure—Activity Relationships." In Endothelin, 41–57. New York, NY: Springer New York, 1992. http://dx.doi.org/10.1007/978-1-4614-7514-9_4.

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Schmidli, Heinz. "Quantitative Structure Activity Relationships (QSAR)." In Contributions to Statistics, 5–15. Heidelberg: Physica-Verlag HD, 1995. http://dx.doi.org/10.1007/978-3-642-50015-2_2.

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García-Sánchez, Mario Omar, Maykel Cruz-Monteagudo, and José L. Medina-Franco. "Quantitative Structure-Epigenetic Activity Relationships." In Challenges and Advances in Computational Chemistry and Physics, 303–38. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-56850-8_8.

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Cannon, Joseph G. "Dopamine agonists: structure-activity relationships." In Progress in Drug Research, 303–414. Basel: Birkhäuser Basel, 1985. http://dx.doi.org/10.1007/978-3-0348-9315-2_9.

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Conference papers on the topic "Structure-activity relationships"

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de Agostini, A., F. Barja, S. Carrel, P. C. Harpel, and M. Schapira. "C1 -INHIBITOR: STRUCTURE-ACTIVITY RELATIONSHIPS." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1642903.

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Cl-inhibitor [C1 -In] and other protease inhibitors of the serpin superfamily inactivate serine proteases by forming bimolecular enzyme-inhibitor complexes, a reaction that is associated with changes in the inhibitor conformation. To determine the significance of these changes, we have examined the influence of various treatments on the binding to C1-In of monoclonal antibody 4C3. This antibody was previously shown to bind to an epitope created during the reaction of C1-In with the Arg-specific protease plasma kallikrein [K]: the site for 4C3 was expressed on the K-C1-In complex, on C1-In cleaved at position Pi and released from K-C1-In [C1-In*], but not on unreacted C1-In. The binding of 4C3 to the various forms of C1-In was now measured by radioimmunoassay and Western blot. Following inactivation by C1-In of the Arg-specific enzymes factor XII active fragment [Xllf] or C1s, the binding site for 4C3 was detectable on XIIf-CI-In, C1s-C1-In and C1-In*. However, when K or Xllf were incubated with heat-inactivated C1-In, bo+h enzymes remained active, no complex was formed, and the site for 4C3 was not created. When C1-In was cleaved by neutrophil elastase [E] (a Met-orVal-specific protease that is not inhibited by C1 -In), the 1st cleavage product C1-In’ retained inhibitory activity (as shown by its ability to form a complex with Xllf) but did not bind 4C3. However, subsequent cleavage of C1-In’ by E at position P3 yielded C1-In’, a product which was inactive but bound 4C3. Thus, identical conformational changes of C1-In (as assessed by the emergence of the site for 4C3) are seen when Cl-In inactivates its target enzymes while being cleaved at Pi or when the inhibitor is catalytically inactivated by cleavage at P3. Therefore, these changes are necessary but not sufficient for observing enzyme inactivation.
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Tognolini, Massimiliano, Matteo Incerti, Iftiin Hassan Mohamed, Carmine Giorgio, Elisabetta Barocelli, Simonetta Russo, Barbara Lelli, Luisa Bracci, and Alessio Lodola. "Abstract A126: Structure activity relationships of new EphA2 ligands." In Abstracts: AACR-NCI-EORTC International Conference: Molecular Targets and Cancer Therapeutics--Nov 12-16, 2011; San Francisco, CA. American Association for Cancer Research, 2011. http://dx.doi.org/10.1158/1535-7163.targ-11-a126.

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Liu, Rong, Robert Rallo, and Yoram Cohen. "Quantitative Structure-Activity-Relationships for cellular uptake of nanoparticles." In 2013 IEEE 13th International Conference on Nanotechnology (IEEE-NANO). IEEE, 2013. http://dx.doi.org/10.1109/nano.2013.6720861.

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Butkiewicz, Mariusz, Ralf Mueller, Danilo Selic, Eric Dawson, and Jens Meiler. "Application of machine learning approaches on quantitative structure activity relationships." In 2009 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB). IEEE, 2009. http://dx.doi.org/10.1109/cibcb.2009.4925736.

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Xu, Jingbo, and Tisong Jing. "Quantitative Structure-Activity Relationships for Oryzias Latipes Gill ATPase Endpoint." In 2008 2nd International Conference on Bioinformatics and Biomedical Engineering (ICBBE '08). IEEE, 2008. http://dx.doi.org/10.1109/icbbe.2008.296.

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Fernandez-Torres, Luis, Luis Castellar, Langeda Bontemps, and Leslie Robinson. "Structure – Activity Relationships (SARs) of Antioxidant Molecule." In MOL2NET 2016, International Conference on Multidisciplinary Sciences, 2nd edition. Basel, Switzerland: MDPI, 2016. http://dx.doi.org/10.3390/mol2net-02-03841.

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Leamon, Christopher P., Iontcho R. Vlahov, Joseph A. Reddy, Marilynn Vetzel, Hari K. Santhapuram, Fei You, Alicia Bloomfield, et al. "Abstract 2518: Structure-activity relationships of folate-vinca alkaloid conjugates." In Proceedings: AACR 102nd Annual Meeting 2011‐‐ Apr 2‐6, 2011; Orlando, FL. American Association for Cancer Research, 2011. http://dx.doi.org/10.1158/1538-7445.am2011-2518.

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Al-Amood, Hanoy K., Hanan F. Al-Shamsi, and Hayat H. Abbas. "Quantitative structure-activity relationships of some new beta amino-carbonyl compounds." In INTERNATIONAL CONFERENCE OF NUMERICAL ANALYSIS AND APPLIED MATHEMATICS ICNAAM 2019. AIP Publishing, 2020. http://dx.doi.org/10.1063/5.0029650.

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Kimani, Njogu, Josphat Matasyoh, Marcel Kaiser, Mauro Nogueira, Gustavo Trossini, and Thomas Schmidt. "An extended study on quantitative structure-antitrypanosomal activity relationships of sesquiterpene lactones." In 4th International Electronic Conference on Medicinal Chemistry. Basel, Switzerland: MDPI, 2018. http://dx.doi.org/10.3390/ecmc-4-05591.

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Gonçalves, M. S. T., V. H. J. Frade, M. J. Sousa, and C. V. P. Moura. "Antimicrobial evaluation of benzo[a]phenoxazine heterocycles: structure–activity relationships." In The 10th International Electronic Conference on Synthetic Organic Chemistry. Basel, Switzerland: MDPI, 2006. http://dx.doi.org/10.3390/ecsoc-10-01428.

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Reports on the topic "Structure-activity relationships"

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Turner, J. E. (Quantitative structure-activity relationships in environmental toxicology). Office of Scientific and Technical Information (OSTI), October 1990. http://dx.doi.org/10.2172/6613721.

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Long, J. P., R. K. Bhatnagar, and J. G. Cannon. Structure-Activity Relationships of Agents Modifying Cholinergic Transmission. Fort Belvoir, VA: Defense Technical Information Center, April 1988. http://dx.doi.org/10.21236/ada197120.

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Chambers, Janice E. Structure-Activity Relationships of Chlorinated Alicyclic Compounds in Catfish. Fort Belvoir, VA: Defense Technical Information Center, August 1993. http://dx.doi.org/10.21236/ada280927.

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Bhore, N. A. Modifiers in rhodium catalysts for carbon monoxide hydrogenation: Structure-activity relationships. Office of Scientific and Technical Information (OSTI), May 1989. http://dx.doi.org/10.2172/6119986.

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Anderson, T. A., and B. T. Walton. Structure-activity relationships for the degradation of a mixture of organic chemicals in soil. Office of Scientific and Technical Information (OSTI), May 1989. http://dx.doi.org/10.2172/5908573.

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Gurevitz, Michael, Michael Adams, and Eliahu Zlotkin. Insect Specific Alpha Neurotoxins from Scorpion Venoms: Mode of Action and Structure-Function Relationships. United States Department of Agriculture, June 1996. http://dx.doi.org/10.32747/1996.7613029.bard.

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This study was motivated by the need to develop new means and approaches to the design of future, environmentally-safe, insecticides. Utilization of anti-insect selective toxins from scorpion venoms and clarification of the molecular basis for their specificity, are a major focus in this project and may have an applicative value. Our study concentrated on the highly insecticidal toxin, LqhaIT, and was devoted to: (I) Characterization of the neuropharmacological and electrophysiological features of this toxin. (II) Establishment of a genetic system for studying structure/activity relationships of the toxin. (III) Analysis of the insecticidal efficacy of an entomopathogenic baculovirus engineered and expressing LqhaIT. The results obtained in this project suggest that: 1) The receptor binding site of LqhaIT on insect sodium channels differs most likely from its analogous receptor site 3 on vertebrate sodium channels. 2) The effects of LqhaIT are presynaptic. Hyperexcitation at the neuromuscular results from dramatic slowing of sodium channel inactivation and enhanced peak sodium currents causes by LqhaIT. 3) The putative toxic surface of LqhaIT involves aromatic and charged amino acid residues located around the C-terminal region and five-residue-turn of the toxin (unpublished). 4) The anti-insect/anti-mammalian toxicity ratio can be altered by site-directed mutagenesis (publication 8). This effect was partly shown at the level of sodium channel function. 5) The insecticidal efficacy of AcNPV baculovirus increased to a great extent when infection was accompanied by expression of LqhaIT (publication 5).
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7

BARKHATOV, NIKOLAY, and SERGEY REVUNOV. A software-computational neural network tool for predicting the electromagnetic state of the polar magnetosphere, taking into account the process that simulates its slow loading by the kinetic energy of the solar wind. SIB-Expertise, December 2021. http://dx.doi.org/10.12731/er0519.07122021.

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The auroral activity indices AU, AL, AE, introduced into geophysics at the beginning of the space era, although they have certain drawbacks, are still widely used to monitor geomagnetic activity at high latitudes. The AU index reflects the intensity of the eastern electric jet, while the AL index is determined by the intensity of the western electric jet. There are many regression relationships linking the indices of magnetic activity with a wide range of phenomena observed in the Earth's magnetosphere and atmosphere. These relationships determine the importance of monitoring and predicting geomagnetic activity for research in various areas of solar-terrestrial physics. The most dramatic phenomena in the magnetosphere and high-latitude ionosphere occur during periods of magnetospheric substorms, a sensitive indicator of which is the time variation and value of the AL index. Currently, AL index forecasting is carried out by various methods using both dynamic systems and artificial intelligence. Forecasting is based on the close relationship between the state of the magnetosphere and the parameters of the solar wind and the interplanetary magnetic field (IMF). This application proposes an algorithm for describing the process of substorm formation using an instrument in the form of an Elman-type ANN by reconstructing the AL index using the dynamics of the new integral parameter we introduced. The use of an integral parameter at the input of the ANN makes it possible to simulate the structure and intellectual properties of the biological nervous system, since in this way an additional realization of the memory of the prehistory of the modeled process is provided.
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8

Kim, Yun-mi, Samuel Farrah, and Ronald H. Baney. Structure--Antimicrobial Activity Relationship Comparing a New Class of Antimicrobials, Silanols, to Alcohols and Phenols. Fort Belvoir, VA: Defense Technical Information Center, April 2006. http://dx.doi.org/10.21236/ada447843.

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9

Chen, Yona, Jeffrey Buyer, and Yitzhak Hadar. Microbial Activity in the Rhizosphere in Relation to the Iron Nutrition of Plants. United States Department of Agriculture, October 1993. http://dx.doi.org/10.32747/1993.7613020.bard.

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Iron is the fourth most abundant element in the soil, but since it forms insoluble hydroxides at neutral and basic pH, it often falls short of meeting the basic requirements of plants and microorganisms. Most aerobic and facultative aerobic microorganisms possess a high-affinity Fe transport system in which siderophores are excreted and the consequent Fe complex is taken up via a cognate specific receptor and a transport pathway. The role of the siderophore in Fe uptake by plants and microorganisms was the focus of this study. In this research Rhizopus arrhizus was found to produce a novel siderophore named Rhizoferrin when grown under Fe deficiency. This compound was purified and its chemical structure was elucidated. Fe-Rhizoferrin was found to alleviate Fe deficiency when applied to several plants grown in nutrient solutions. It was concluded that Fe-Rhizoferrin is the most efficient Fe source for plants when compared with other among microbial siderophores known to date and its activity equals that of the most efficient synthetic commercial iron fertilizer-Fe EDDHA. Siderophores produced by several rhizosphere organisms including Rhizopus Pseudomonas were purified. Monoclonal antibodies were produced and used to develop a method for detection of the siderophores produced by plant-growth-promoting microorganisms in barley rhizosphere. The presence of an Fe-ferrichrome uptake in fluorescent Pseudomonas spp. was demonstrated, and its structural requirements were mapped in P. putida with the help of biomimetic ferrichrome analogs. Using competition experiments, it was shown that FOB, Cop B and FC share at least one common determinant in their uptake pathway. Since FC analogs did not affect FOB or Cop-mediated 55Fe uptake, it could be concluded that these siderophores make use of a different receptor(s) than FC. Therefore, recognition of Cop, FOB and FC proceeds through different receptors having different structural requirements. On the other hand, the phytosiderophores mugineic acid (MA and DMA), were utilized indirectly via ligand exchange by P. putida. Receptors from different biological systems seem to differ in their structural requirements for siderophore recognition and uptake. The design of genus- or species-specific drugs, probes or chemicals, along with an understanding of plant-microbe and microbe-microbe relationships as well as developing methods to detect siderophores using monoclonal antibodies are useful for manipulating the composition of the rhizosphere microbial population for better plant growth, Fe-nutrition and protection from diseases.
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10

Avery, Mitchell A. Drug Development of the Antimalarial Agent Artemisinin: Total Synthesis, Analog Synthesis, and Structure-Activity Relationship Studies. Fort Belvoir, VA: Defense Technical Information Center, August 1990. http://dx.doi.org/10.21236/adb152141.

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