Pharmacy World and Science

, Volume 18, Issue 2, pp 56–62

The role of structure-based ligand design and molecular modelling in drug discovery

  • J. P. Tollenaere
Reviews

DOI: 10.1007/BF00579706

Cite this article as:
Tollenaere, J.P. Pharm World Sci (1996) 18: 56. doi:10.1007/BF00579706

Abstract

Structure-based ligand design is a technique that is used in the initial stages of a drug development programme. The role of various computational methods in the characterization of the chemical properties and behaviour of molecular systems is discussed. The determination of the three-dimensional properties of small molecules and macromolecular receptor structures is a core activity in the efforts towards a better understanding of structure-activity relationships.

Keywords

Computer graphicsDatabasesDrug designMolecular conformationNuclear magnetic resonanceReceptorsStructure-activity relationshipX-ray diffraction

Copyright information

© Kluwer Academic Publishers 1996

Authors and Affiliations

  • J. P. Tollenaere
    • 1
    • 2
  1. 1.Janssen Research FoundationBeerseBelgium
  2. 2.Department of Pharmaceutical Chemistry, Faculty of PharmacyUtrecht UniversityUtrechThe Netherlands