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: 25 July 2025

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Journal articles on the topic "Structure-activity relationships"

1

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

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Muhammad, Imran Qadir. "Recent Structure Activity Relationship Studies of 1,4-Benzodiazepines." Open Journal of Chemistry 1, no. 1 (2015): 008–12. https://doi.org/10.17352/ojc.000002.

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Structure activity relationship studies of 1,4-benzodiazepines have been discussed especially with their effects as antianxiety and anticonvulsants. The currently available benzodiazepines are associated with various side effects. Nowadays the purpose of these studies is to minimize side effects with these drugs. A very little alteration is possible on the benzene ring while the modification can be done on the diazepine ring. It can adopt the different conformations and in some cases some aromatic and heterocyclic rings have been fused with this part in order to see the effect of these conform
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Luke, B. T. "Fuzzy structure-activity relationships." SAR and QSAR in Environmental Research 14, no. 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 (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 (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 (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 (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, 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 (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 (2011): 2641–57. http://dx.doi.org/10.2174/138527211796367309.

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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 ad
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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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Includes bibliographical references.<br>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 t
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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
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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
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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). <I>K</I><SUB>i</SUB> values were determined for the inhibition of tolbutamide methylhydroxylation. N2 of phenytoin is a postulated H-bond donor. Substitution (CH<SUB>3</SUB> or NH<SUB>2</SUB>), reduced inhibitory potency from 46 μM to 74 μM and 98 μM, respectively. Inhibition was competitive. Removal of a phenyl ring removed inhibi
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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. 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. 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. 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. 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. 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. 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. Chapman & Hall, 1998.

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

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1941-, Yang Shen K., and Silverman B. D, eds. Polycyclic aromatic hydrocarbon carcinogenesis: Structure-activity relationships. 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. Plenum Press, 1996.

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Book chapters on the topic "Structure-activity relationships"

1

von Angerer, E. "Structure-Activity Relationships." In Estrogens and Antiestrogens I. 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. 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. 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". У The Chemistry of β-Lactams. 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". У The Chemistry of β-Lactams. 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. CRC Press, 2021. http://dx.doi.org/10.1201/9781003203506-2.

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Klebe, Gerhard. "Quantitative Structure–Activity Relationships." In Drug Design. Springer Berlin Heidelberg, 2024. https://doi.org/10.1007/978-3-662-68998-1_18.

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Erhardt, Paul W. "Endothelin Structure and Structure—Activity Relationships." In Endothelin. 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. 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. Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-56850-8_8.

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Conference papers on the topic "Structure-activity relationships"

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Hollander, Orin, and Betz Industrial. "Structure-Activity Relationships of Triazole Copper-Corrosion Inhibitors: Rational Development of Enhanced Activity Inhibitors." In CORROSION 1989. NACE International, 1989. https://doi.org/10.5006/c1989-89455.

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Abstract A review of the chemistry of the aromatic triazoles and their behavior as copper corrosion inhibitors in aqueous systems is presented. Particular emphasis is placed on structure-activity relationships. Models of the inhibitive mechanism are discussed, and a new, alternative theory for the bonding of these compounds to the substrate is proposed. Applying this theory, a new inhibitor was developed, which had a greater overall inhibitive effect, but more importantly, a stronger bond to the substrate. This increase in the bond strength improved the durability of the film more than 50-fold
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Durnie, W. H., and M. A. Gough. "Characterization, Isolation and Performance Characteristics of Imidazolines. Part II. Development of Structure - Activity Relationships." In CORROSION 2003. NACE International, 2003. https://doi.org/10.5006/c2003-03336.

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Abstract Imidazolines have been used in the area of corrosion inhibition since at least the mid 1940’s when it was shown that long chain organic compounds with polar functional groups had corrosion inhibition properties when applied to oil-field environments. Part I. of this paper reported the synthesis, separation/isolation and performance characteristics of various imidazoline species synthesised from oleic acid (OA) and diethylenetriamine (DETA). These techniques have been employed in order to yield relatively ‘pure’ imidazolines for more detailed study. This paper presents the preliminary
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Aburidi, Mohammed, and Roummel Marcia. "Optimal Transport-Based Network Alignment: Graph Classification of Small Molecule Structure-Activity Relationships in Biology." In 2024 46th Annual International Conference of the IEEE Engineering in Medicine and Biology Society (EMBC). IEEE, 2024. https://doi.org/10.1109/embc53108.2024.10782458.

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Durnie, W. H. "Modelling the Functional Behaviour of Corrosion Inhibitors." In CORROSION 2004. NACE International, 2004. https://doi.org/10.5006/c2004-04401.

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Abstract The inhibition efficiency of organic compounds is dependent on many factors, some of which include the molecular size, charge density, number of adsorption sites, and mode of interaction between the inhibitor and the surface. Adsorption at surfaces is linked predominantly to the electronic structure of the inhibitor molecules, and it is well known that slight changes in the chemistry of an inhibitor can instigate dramatic changes on its efficacy. Many different forms of quantitative structure activity relationships (QSAR’s) have been developed to describe the efficacy of corrosion inh
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Agarwal, Abhishek, Pradeep Rathore, Vinay Jain, and Beena Rai. "In-silico Model for Predicting the Corrosion Inhibition Efficiency of Steel Inhibitors." In CORROSION 2019. NACE International, 2019. https://doi.org/10.5006/c2019-13329.

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Abstract Quantitative Structure-Activity Relationships (QSAR) based models have been widely used for predicting corrosion inhibition performance of metals. However, one of the major limitations in these studies is that the authors have restricted themselves to use only a single class of molecules having similar molecular structure. In this study, a computational end-to-end framework was developed to investigate the properties of organic corrosion inhibitors which are responsible for inhibition of steel in acidic solution. The framework consists of modules like data preprocessing, descriptor se
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Xue, Z., B. Wan, L. Chen, S. Zhao, and D. Ding. "Structure-activity relationship of LYSO:Ce crystal." In 2024 IEEE Nuclear Science Symposium (NSS), Medical Imaging Conference (MIC) and Room Temperature Semiconductor Detector Conference (RTSD). IEEE, 2024. http://dx.doi.org/10.1109/nss/mic/rtsd57108.2024.10655088.

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Bendiksen, B., and J. S. Gill. "Molecular Modeling in Scale Control - An Experimental Verification and ITS Limitations." In CORROSION 1996. NACE International, 1996. https://doi.org/10.5006/c1996-96164.

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Abstract This work centers on the use of molecular modeling to study scale inhibition of alkaline earth scales such as calcium carbonate and calcium sulfate. The molecular modeling studies have shown the interaction of phosphonates with varied crystal faces of the scales. The software makes it possible to visualize the important crystal faces and match the geometry of the inhibitor to the crystal planes that determine the morphology of the resulting solid. Molecular Dynamics (MD) calculations can reveal specific interactions of inhibitors with scale surfaces. Quantitative Structure Activity Re
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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 clea
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Tognolini, Massimiliano, Matteo Incerti, Iftiin Hassan Mohamed, et al. "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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Reports on the topic "Structure-activity relationships"

1

Turner, J. E. (Quantitative structure-activity relationships in environmental toxicology). Office of Scientific and Technical Information (OSTI), 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. Defense Technical Information Center, 1988. http://dx.doi.org/10.21236/ada197120.

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Chambers, Janice E. Structure-Activity Relationships of Chlorinated Alicyclic Compounds in Catfish. Defense Technical Information Center, 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), 1989. http://dx.doi.org/10.2172/6119986.

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Yibchok-anun, Sirintorn, and Nattaya Ngamrojanavanich. Structure-activity relationships of trans-cinnamic acid derivatives on inhibitions of alpha-glucosidase. Chulalongkorn University, 2004. https://doi.org/10.58837/chula.res.2004.86.

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Trans-Cinnamic acid and its derivatives were investigated for the a-glucosidase inhibitiory activity. 4-methoxy-trans-cinnamic acid and 4-methoxy-trans-cinnamic acid ethyl ester showed the highest potent inhibitory activity among those of trans-cinnamic acid derivatives. The presence of substituents at 4-position in trans-cinnamic acid derivatives. The presence of substituents at 4-position in trans-cinnamic acid altered the a-glucosidase inhibitory activity. Increasing of bulkiness and the chain length of 4-alkoxy substituents as well as the increasing of the electron withdrawing group have b
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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), 1989. http://dx.doi.org/10.2172/5908573.

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Kokpol, Sirirat. Relationships between biological activity and molecular properties of artemisinin compounds. Chulalongkorn University, 2001. https://doi.org/10.58837/chula.res.2001.38.

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Relationships between biological activity and molecular properties of 68 antimalarial artemisinin compounds were investigated in the quantitative manner. All compounds were geometrically optimized at the HF/3-21G level. Totally 102 molecular properties covering hydrophobicity, polarizability, electronic, and steric parameters were calculated from the optimized structures. The activities against 2 different strains of malarial parasites, D-6 and W-2, were taken from the literatures. Statistical analyses were performed to find the relationships between the activities and the calculated molecular
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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, 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
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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, 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 ge
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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, 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 sid
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