Int. J. Mol. Sci. 2014, 15(1), 1358-1373; https://doi.org/10.3390/ijms15011358
In Silico Discovery of Aminoacyl-tRNA Synthetase Inhibitors
1
School of Pharmacy, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China
2
State Key Laboratory of Microbial Metabolism, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China
*
Author to whom correspondence should be addressed.
Received: 10 December 2013 / Revised: 2 January 2014 / Accepted: 7 January 2014 / Published: 20 January 2014
(This article belongs to the Collection Computational, Structural and Spectroscopic Studies of Enzyme Mechanisms, Inhibition and Dynamics)
Abstract
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. View Full-TextKeywords:
aminoacyl-tRNA synthetase; inhibitor; antibiotics; virtual screening; structure-based drug design; docking
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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Zhao, Y.; Meng, Q.; Bai, L.; Zhou, H. In Silico Discovery of Aminoacyl-tRNA Synthetase Inhibitors. Int. J. Mol. Sci. 2014, 15, 1358-1373.
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