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Drug Design: A Combination of Experiment and Computational Chemistry

  • H. P. Weber
Conference paper

Abstract

A “Rational Drug Design” depends on the explicit formulation of a Stucture-Activity-Hypothesis which postulates directly a relation between specific molecular parameters and the biological activity of a series of drug molecules as measured in a particular biological/pharmacological assay. The molecular parameters used in these relations are usually structural dimensions (e.g. distance between functional groups defining a pharmacophor, or defining a fitting molecular shape), and electronic parameters (e.g. particular electron density distributions, location of HOMO/LUMO molecular orbitals, etc.).

Keywords

Torsion Angle Boronic Acid Molecular Parameter Minor Groove Binding Electronic Parameter 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Copyright information

© Springer-Verlag Berlin Heidelberg 1990

Authors and Affiliations

  • H. P. Weber
    • 1
  1. 1.Preclinical ResearchSANDOZ A. G.BaselSwitzerland

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