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Applications of various steric constants to quantitative analysis of structure-activity relationships

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Steric Effects in Drug Design

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 114))

Abstract

Structure-activity relationships for biologically active congeneric compounds were examined by using free-energy-related physicochemical parameters and regression technique. The steric effects involved in such biological activities were expressible and separable from other factors as steric parameters depending upon the situations. In this article, examples for enzyme reactions, enzyme inhibitions, insecticides, fungicides, herbicides, plant growth regulators and synthetic sweetners, mostly from our own laboratory are reviewed. The steric parameters used here are Taft Es, Hancock E cs , Verloop STERIMOL and van der Waals molar volume.

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Abbreviations

Ache:

acetylcholinesterase

DDD:

p,p’-dichlorodiphenyldichloroethane

DDT:

p,p’-dichlorodiphenyldichloroethane

HB:

hydrogen bonding parameter

MAO:

monoamine oxidase

MBC:

minimum blocking concentration

MEC:

minimum excitatory concentration

WSAR:

quantitative structure-activity relationship

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Authors and Affiliations

  1. Department of Agricultural Chemistry, Kyoto University, 606, Kyoto, Japan

    Toshio Fujita & Hajime Iwamura

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  1. Toshio Fujita
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  2. Hajime Iwamura
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© 1983 Springer-Verlag

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Fujita, T., Iwamura, H. (1983). Applications of various steric constants to quantitative analysis of structure-activity relationships. In: Steric Effects in Drug Design. Topics in Current Chemistry, vol 114. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0111216

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  • DOI: https://doi.org/10.1007/BFb0111216

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