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.
Keywords: virtual screening, molecular docking, database screening, pharmacophore modeling
Current Pharmaceutical Design
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.
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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
DOI https://dx.doi.org/10.2174/1381612043452721 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
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