Issue 16, 2019, Issue in Progress

Exploring the mode of action of inhibitors targeting the PhoP response regulator of Salmonella enterica through comprehensive pharmacophore approaches

Abstract

The PhoQ/PhoP two-component system regulates the physiological and virulence functions of Salmonella enterica. However, the mode of action of known PhoP inhibitors is unclear. We systematically constructed a pharmacophore model of inhibitors to probe the interface pharmacophore model of the PhoP dimer, coupling it with Ligplot analysis. We found that these inhibitors bind on the α5-helix, altering the conformation and interfering with PhoP binding on DNA.

Graphical abstract: Exploring the mode of action of inhibitors targeting the PhoP response regulator of Salmonella enterica through comprehensive pharmacophore approaches

Supplementary files

Article information

Article type
Paper
Submitted
24 Jan 2019
Accepted
28 Feb 2019
First published
21 Mar 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 9308-9312

Exploring the mode of action of inhibitors targeting the PhoP response regulator of Salmonella enterica through comprehensive pharmacophore approaches

K. Tsai, P. Hung, C. Cheng, C. Chen and T. Tseng, RSC Adv., 2019, 9, 9308 DOI: 10.1039/C9RA00620F

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