Drugs quantitative structure-activity relationship

Key words Plasmodium falciparum, Kinase, Drug, Quantitative structure-activity relationships, Pharmacophore, Docking, Antimalarials... 

When the property being described is a physical property, such as the boiling point, this is referred to as a quantitative structure-property relationship (QSPR). When the property being described is a type of biological activity, such as drug activity, this is referred to as a quantitative structure-activity relationship (QSAR). Our discussion will first address QSPR. All the points covered in the QSPR section are also applicable to QSAR, which is discussed next. 

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Among others, 11 was included in a series of drugs to study quantitative structure-activity relationships (96KFZ(6)29, 98MI7, 99BMC2437). A statistically significant CoMFA model was developed for describing the... 

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Ekins S, Bravi G, Binkley S, Gillespie JS, Ring BJ, Wikel JH, et al. Three and four dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2C9 inhibitors. Drug Metab Dispos 2000 28 994-1002. 

Ethell BT, Ekins S, Wang J, Burchell B. Quantitative structure activity relationships for the glucuronidation of simple phenols by expressed human UGT1A6 and UGT1A9. Drug Metab Dispos 2002 30 734-8. 

H-bonding Parameterization in Quantitative Structure-Activity Relationships and Drug Design... 

I 6 H-bonding Parameterization in Quantitative Structure-Activity Relationships ef Drug Design Tab. 6.4 X-ray data, H-bond parameters and optimum energies and distances for few ideal complexes [48]. 

Schaper, K.-J., Zhang, H., Raevsky, 0. A. pH-dependent partitioning of acidic and basic drugs into liposomes - a quantitative structure-activity relationship. Quant. Struct.-Act. Relat. 2001, 20, 45-54. 

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Anderson, G.M. Braun, G. Braun, U. Nichols, D.E. and Shulgin, A.T. Absolute configuration and psychotomimetic activity. In Barnett, G. Trsic, M. and Willette, R., eds. Quasar Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens. National Institute on Drug Abuse Research Monograph 22. Rockville, MD the Institute, 1978. pp. 8-15. 

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