生物信息学
结核分枝杆菌
体外
对接(动物)
霉酸
生物化学
化学
拜瑞妥
立体化学
计算生物学
生物
肺结核
医学
基因
护理部
病理
华法林
心房颤动
心脏病学
作者
Todar Lakhvich,V. M. Ryneiskaya,N. S. Golyak,N. K. Yurkshtovich,K. E. Nasennikava,Ф. А. Лахвич
标识
DOI:10.29235/1561-8323-2023-67-3-207-213
摘要
The activity of Rivaroxoban of oxazolidinone series against Mycobacterium terrae was investigated in silico and in vitro. In silico studies have shown a high binding affinity of Rivaroxaban to β-ketoacyl[ACP]synthase I that plays a key role in the biosynthesis of mycolic acids, being the components of the mycobacterial cell wall. In the molecular docking study, two main binding sites of Rivaroxaban with protein were predicted and evaluated: the minimum binding energies were found for the both sites with the values of –10.26 kcal/mol and –8.99 kcal/mol. A solution of Rivaroxaban (200 μg/ml) has been shown to inhibit the growth of a Mycobacterium terrae culture. The data obtained open up the prospect of developing new effective anti-tuberculosis drugs of oxazolidinone series.
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