Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/26425
Title: Identification of a new class of FtsZ inhibitors by structure-based design and in vitro screening
Authors: Chan, FY
Sun, N
Neves, MAC
Lam, PCH
Chung, WH
Wong, LK
Chow, HY
Ma, DL
Chan, PH 
Leung, YC 
Chan, TH 
Abagyan, R
Wong, KY 
Issue Date: 2013
Source: Journal of chemical information and modeling, 2013, v. 53, no. 8, p. 2131-2140 How to cite?
Journal: Journal of Chemical Information and Modeling 
Abstract: The Filamenting temperature-sensitive mutant Z (FtsZ), an essential GTPase in bacterial cell division, is highly conserved among Gram-positive and Gram-negative bacteria and thus considered an attractive target to treat antibiotic-resistant bacterial infections. In this study, a new class of FtsZ inhibitors bearing the pyrimidine-quinuclidine scaffold was identified from structure-based virtual screening of natural product libraries. Iterative rounds of in silico studies and biological evaluation established the preliminary structure-activity relationships of the new compounds. Potent FtsZ inhibitors with low micromolar IC50 and antibacterial activity against S. aureus and E. coli were found. These findings support the use of virtual screening and structure-based design for the rational development of new antibacterial agents with innovative mechanisms of action.
URI: http://hdl.handle.net/10397/26425
ISSN: 1549-9596
DOI: 10.1021/ci400203f
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