In Silico Discovery of Aminoacyl-tRNA Synthetase Inhibitors

International Journal of Molecular Sciences

Yaxue Zhao²  Qingqing Meng²  Linquan Bai¹ 

[1] State Key Laboratory of Microbial Metabolism, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China; E-Mail:;School of Pharmacy, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China; E-Mails:

关键词: aminoacyl-tRNA synthetase;    inhibitor;    antibiotics;    virtual screening;    structure-based drug design;    docking;   

DOI  :  10.3390/ijms15011358

来源: mdpi

【 摘 要 】

Aminoacyl-tRNA synthetases (aaRSs) are enzymes that catalyze the transfer of amino acids to their cognate tRNA. They play a pivotal role in protein synthesis and are essential for cell growth and survival. The aaRSs are one of the leading targets for development of antibiotic agents. In this review, we mainly focused on aaRS inhibitor discovery and development using in silico methods including virtual screening and structure-based drug design. These computational methods are relatively fast and cheap, and are proving to be of great benefit for the rational development of more potent aaRS inhibitors and other pharmaceutical agents that may usher in a much needed generation of new antibiotics.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland