Generic placeholder image

Current Pharmaceutical Biotechnology


ISSN (Print): 1389-2010
ISSN (Online): 1873-4316

Fragment-Based Drug Discovery and Molecular Docking in Drug Design

Author(s): Tao Wang, Mian-Bin Wu, Zheng-Jie Chen, Hua Chen, Jian-Ping Lin and Li-Rong Yang

Volume 16, Issue 1, 2015

Page: [11 - 25] Pages: 15

DOI: 10.2174/1389201015666141122204532


Fragment-based drug discovery (FBDD) has caused a revolution in the process of drug discovery and design, with many FBDD leads being developed into clinical trials or approved in the past few years. Compared with traditional high-throughput screening, it displays obvious advantages such as efficiently covering chemical space, achieving higher hit rates, and so forth. In this review, we focus on the most recent developments of FBDD for improving drug discovery, illustrating the process and the importance of FBDD. In particular, the computational strategies applied in the process of FBDD and molecular-docking programs are highlighted elaborately. In most cases, docking is used for predicting the ligand–receptor interaction modes and hit identification by structurebased virtual screening. The successful cases of typical significance and the hits identified most recently are discussed.

Keywords: Drug candidate, drug design, drug discovery, FBDD, molecular docking, virtual screening.

© 2023 Bentham Science Publishers | Privacy Policy