抗结核药物的合成、生物活性和对接研究综述

Ajay Kumar Chukka, Venkata Gopaiah K, Sireesha Ch, Leela Supraja M, Dileep Chowdary M, Hanumanthu Sai M, Irfan Sk, Suresh Kumar J. N
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引用次数: 0

摘要

世界卫生组织建议用异烟肼(INH)、利福平(RMP)、乙胺丁醇和吡嗪酰胺治疗结核病,疗程为 6 个月。我们评估了一些新型苯乙烯基-1,2,4-恶二唑对 MTB H37Ra 菌株的抗结核活性。这些化合物是由肉桂酸的分子结构激发的。抗菌活性与硫代氨基羰基骨架上吡啶取代基的位置有很大关系。在使用 iGemDock 进行的蛋白质-配体初级对接过程中,共有 33 种配体与 AftaA 和 EmbA 两种蛋白质进行了对接。接下来的研究将八种抗结核药物作为对照组:利福平、异烟肼、床阿奎林、地拉米尼、乙硫酰胺、乙胺丁醇、吉米沙星和硫代乙酰唑酮。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A review of synthesis, biological activity, & docking studies of anti-tubercular agents
The World Health Organization suggests treating tuberculosis with a 6-month course of isoniazid (INH), rifampicin (RMP), ethambutol, and pyrazinamide. The anti-TB activity of a number of novel styryl-1,2,4-oxadiazoles against the MTB H37Ra strain was assessed. These compounds were motivated by the molecular structure of cinnamic acid. There is a substantial correlation between the antibacterial activity and the location of the pyridine substituent on the thiosemicarbazide skeleton. A total of thirty-three ligands were docked against the two proteins AftaA and EmbA during the primary protein-ligand docking process, which was carried out using iGemDock. The following study included eight anti-tuberculosis medications as a control group: rifampicin, isoniazid, bed aquiline, delamanid, ethionamide, ethambutol, Gemifloxacin, and thioacetazone.
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