Drugs structure-activity relationship ,

Shulgin AT Hallucinogens, in Burger s Medicinal Chemistry, 4th Edition, Part 3. Edited by Wolff ME. New York, Wiley, 1981, pp 1109-1137 Shulgin AT Psychotomimetic drugs structure-activity relationships, in Handbook of Psychopharmacology, Vol 11. Edited by Iversen LD, Iversen SD, Snyder SH. New York, Plenum, 1978, pp 243-336... 

Shulgin, A.T. Psychotomimetic drugs Structure-activity relationships. In Iversen, L.L. Iversen, S.D. and Snyder, S.H., eds. Handbook of Psychopharmacology. Vol. 11. New York Plenum, 1978. pp. 243-333. Shulgin, A.T., and Carter, MF. Centrally active phenethylamines. 

Subject Drugs--Design. Drugs--Structure-activity relationships. Drugs—Conformation. Drug Design. Structure-Activity Relationship. 

Platinum Anticancer Drugs Structure-Activity Relationships and Complexes on Clinical Trials Y... 

Lien, E.J Li, W.Y. Anticancer Chinese drugs structure-activity relationships. In Chang, H.M., H.W. Yeung, W.W. Tso and A. Koo (Ed.) Advances in Chinese medicinal material research. World Scientific Publ. Co. Singapore. 1985, p 433-452. 

Shulgin, A. T. 1978. Psychotomimetic drugs structure-activity relationships. flln fR L. L. Iversen, S. D. Iversen, and S. H. Snyder [eds.]. Handbook of psychopharmacology, Vol. 11. Plenum Press, New York. Pp. 243-333. 

Kubinyi H 1995. The Quantitative Analysis of Structure-Activity Relationships. In Wolff M E (Editor) Burger s Medicinal Chemistry and Drug Discovery. 5th Edition, Volume 1. New York, John Wiley Sons, pp. 497-571. 

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. 

GR Marshall, CD Barry, HE Bosshard, RA Dammkoehler, DA Dunn. The conformational parameter m drug design The active analog approach. ACS Symp Ser 112 205-226, 1979. JL Fauchere, ed. QSAR Quantitative Structure-Activity Relationships m Drug Design. New York Alan R Liss, 1989, pp 177-181. 

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... 

Topliss, J. G. (1983) (ed.) Quantitative Structure-Activity Relationships of Drugs. Academic Press, New York [7.2]. 

Traditionally, in pursuit of their structure-activity relationships, medicinal chemists had focused almost exclusively on finding compounds with greater and greater potency. However, these SARs often ended up with compounds that were unsuitable for development as pharmaceutical products. These compounds would be too insoluble in water, or were not orally bioavailable, or were eliminated too quickly or too slowly from mammalian bodies. Pharmacologists and pharmaceutical development scientists for years had tried to preach the need for medicinal chemists to also think about other factors that determined whether a compound could be a medicine. Table 1.1 lists a number of factors that determine whether a potent compound has what it takes to become a drug. Experimentally, it was difficult to quantitate these other factors. Often, the necessary manpower resources would not be allocated to a compound until it had already been selected for project team status. 

Ekins S, De Groot MJ, Jones JP. Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome P450 active sites. Drug Metab Dispos 2001 29 936-44. 

Austel V, Kutter E. Absorption, distribution, and metabolism of drugs. In Topliss, EJ, editor. Quantitative structure-activity relationships of drugs. New York Academic Press, 1983. p. 437-96. 

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. 

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