Recent Development and Application of Virtual Screening in Drug Discovery: An Overview

Title: Recent Development and Application of Virtual Screening in Drug Discovery: An Overview

Volume: 10 Issue: 9

Author(s): Tingjun Hou and Xiaojie Xu

Affiliation:

Keywords: virtual screening, molecular docking, database screening, pharmacophore modeling

Abstract: Virtual screening, especially the structure-based virtual screening, has emerged as a reliable, cost-effective and time-saving technique for the discovery of lead compounds. Here, the basic ideas and computational tools for virtual screening have been briefly introduced, and emphasis is placed on aspects of recent development of docking-based virtual screening, scoring functions in molecular docking and ADME/Tox-based virtual screening in the past three years (2000 to 2003). Moreover, successful examples are provided to further demonstrate the effectiveness of virtual screening in drug discovery.

Cite this article as:

Hou Tingjun and Xu Xiaojie, Recent Development and Application of Virtual Screening in Drug Discovery: An Overview, Current Pharmaceutical Design 2004; 10 (9) . https://dx.doi.org/10.2174/1381612043452721