Virtual Screening: An Overview on Methods and Applications

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Author(s): Khaled H. Barakat (University of Alberta, Canada), Jonathan Y. Mane (University of Alberta, Canada)and Jack A. Tuszynski (University of Alberta, Canada)
Copyright: 2011
Pages: 33
Source title: Handbook of Research on Computational and Systems Biology: Interdisciplinary Applications
Source Author(s)/Editor(s): Limin Angela Liu (Shanghai Jiao Tong University, China), Dongqing Wei (Shanghai Jiao Tong University, China), Yixue Li (Shanghai Jiao Tong University, China)and Huimin Lei (Shanghai Jiao Tong University, China)
DOI: 10.4018/978-1-60960-491-2.ch002

Keywords: Bioinformatics / Biologically-Inspired Computing / Medical Information Science Reference / Medicine & Healthcare

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Abstract

Virtual screening, or VS, is emerging as a valuable tool in discovering new candidate inhibitors for many biologically relevant targets including the many chemotherapeutic targets that play key roles in cell signaling pathways. However, despite the great advances made in the field thus far, VS is still in constant development with a relatively low success rate that needs to be improved by parallel experimental validation methods. This chapter reviews the recent advances in VS, focusing on the range and type of computational methods and their successful applications in drug discovery. The chapter also discusses both the advantages and limitations of the various techniques used in VS and outlines a number of future directions in which the field may progress.

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