Three-dimensional (3D) pharmacophore modelling-based drug designing by computational technique

Aman Chandra Kaushik, Ajay Kumar, Shiv Bharadwaj, Ravi Chaudhary, Shakti Sahi

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

1 Scopus citations


Three-dimensional (3D) pharmacophore modelling is a modern approach used to elucidate the intermolecular interaction of ligands with the target of interest. In the past few years, pharmacophore models have been developed with chemical features and are intuitively understandable and broadly employed successfully in computational drug discovery by the researchers. The concert and utility of pharmacophore modelling are demarcated by the two major factors; (i) definition and placement of pharmacophoric features and (ii) the arrangement approaches used to overlay the 3D pharmacophore models and small molecules. This chapter provides a brief account of the recent technologies and developed model used in pharmacophores-based drug design.

Original languageEnglish
Title of host publicationSpringerBriefs in Computer Science
Number of pages5
StatePublished - 1 Jan 2018
Externally publishedYes

Publication series

NameSpringerBriefs in Computer Science
ISSN (Print)2191-5768
ISSN (Electronic)2191-5776


  • 3D pharmacophore
  • Computational drug discovery
  • Modelling
  • Pharmacophore models

ASJC Scopus subject areas

  • General Computer Science


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