Issue 1, 2022

Discovery of FtsZ inhibitors by virtual screening as antibacterial agents and study of the inhibition mechanism

Abstract

Inhibition of bacterial cell division is a novel mechanistic action in the development of new antimicrobial agents. The FtsZ protein is an important antimicrobial drug target because of its essential role in bacterial cell division. In the present study, potential inhibitors of FtsZ were identified by virtual screening followed by in vivo and in vitro bioassays. One of the candidates, Dacomitinib (S2727), shows for the first time its potent inhibitory activity against the MRSA strains. The binding mode of Dacomitinib in FtsZ was analyzed by docking, and Asp199 and Thr265 are thought to be essential residues involved in the interactions.

Graphical abstract: Discovery of FtsZ inhibitors by virtual screening as antibacterial agents and study of the inhibition mechanism

Supplementary files

Article information

Article type
Research Article
Submitted
25 Jūl. 2021
Accepted
07 Nov. 2021
First published
15 Nov. 2021

RSC Med. Chem., 2022,13, 79-89

Discovery of FtsZ inhibitors by virtual screening as antibacterial agents and study of the inhibition mechanism

R. Du, N. Sun, Y. Fung, Y. Zheng, Y. Chen, P. Chan, W. Wong and K. Wong, RSC Med. Chem., 2022, 13, 79 DOI: 10.1039/D1MD00249J

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