通过全面的药效团方法探索靶向PhoP应答调节因子的抑制剂的作用模式。
Exploring the mode of action of inhibitors targeting the PhoP response regulator of through comprehensive pharmacophore approaches.
作者信息
Tsai Keng-Chang, Hung Po-Pin, Cheng Ching-Feng, Chen Chinpan, Tseng Tien-Sheng
机构信息
National Research Institute of Chinese Medicine, Ministry of Health and Welfare Taipei 112 Taiwan.
The PhD Program in Medical Biotechnology, College of Medical Science and Technology, Taipei Medical University Taipei Taiwan.
出版信息
RSC Adv. 2019 Mar 21;9(16):9308-9312. doi: 10.1039/c9ra00620f. eCollection 2019 Mar 15.
The PhoQ/PhoP two-component system regulates the physiological and virulence functions of . 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.
PhoQ/PhoP双组分系统调节……的生理和毒力功能。然而，已知PhoP抑制剂的作用模式尚不清楚。我们系统地构建了抑制剂的药效团模型，以探究PhoP二聚体的界面药效团模型，并将其与Ligplot分析相结合。我们发现这些抑制剂结合在α5螺旋上，改变构象并干扰PhoP与DNA的结合。
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