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Exploring the mode of action of inhibitors targeting the PhoP response regulator of Salmonella enterica through comprehensive pharmacophore approaches
- Tsai, Keng-Chang, Hung, Po-Pin, Cheng, Ching-Feng, Chen, Chinpan, Tseng, Tien-Sheng
- RSC advances 2019 v.9 no.16 pp. 9308-9312
- DNA, Salmonella enterica, mechanism of action, models, pharmacology, virulence
- 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.