Abstract

Numerous innovations have taken place recently in the quickly developing field of structure-based drug design. The surge of genomic, proteomic, and structural data has opened numerous new targets and opportunities for the discovery of therapeutic leads. An overview of the structure-based drug design process is given in this article, with an emphasis on the selection of a target, evaluation of the targets. A large region of selective inhibitor identification of an interest target is called structure-based drug design. Numerous computational techniques have been developed since the three-dimensional structures of pharmacological targets, primarily proteins, became available to address the difficulties involved in the drug design process. The main parameters to determine the efficacy of new chemical inhibitors are drug-likeness, drug ability of the target protein, specificity, off-target binding, etc.