Molecular docking analysis of thiazo inhibitors with the virulent factor cystalysin from Treponema denticola

噻唑抑制剂与牙龈密螺旋体毒力因子胱氨酸溶素的分子对接分析

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Abstract

Treponema Denticola has a virulent protein called cystalysin, which causes periodontitis. Therefore, it is of interest to design efficient drug that may have fewer side effects than the present clinical drugs, considering most of them are multidrug resistant. The molecular docking analysis show that the selected thiazo derivatives (1-6) show better binding energies and amino acid interactions compared to the clinically proven drugs proving to be potential inhibitors against the protein.

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