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.
Rights & PermissionsPrintExport