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

Ruo Lan Du, Ning Sun, Yik Hong Fung, Yuan Yuan Zheng, Yu Wei Chen, Pak Ho Chan, Wing Leung Wong, Kwok Yin Wong

Research output: Journal article publicationJournal articleAcademic researchpeer-review

10 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)79-89
Number of pages11
JournalRSC Medicinal Chemistry
Volume13
DOIs
Publication statusPublished - 15 Nov 2021

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine
  • Pharmacology
  • Pharmaceutical Science
  • Drug Discovery
  • Organic Chemistry

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