5- 甲基噻唑烷-4-酮的分子对接、合成、表征和抗菌评估

Sarmad Saadi Hussein, K. Ali, Fouad A. A. Al-saady, Atheer Atiroğlu
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引用次数: 0

摘要

为了克服广泛出现的抗药性病原体,迫切需要找到更新的治疗方案。本研究旨在利用计算方法设计具有抗菌活性的新分子,并合成这些化合物。对所设计的具有噻唑烷-4-酮杂环分子的结构进行了体外抗菌和抗真菌活性评估,发现这些结构具有抗真菌和抗菌特性。研究人员进行了分子对接研究,以检查药物与蛋白质之间的潜在相互作用。通过光谱技术(傅立叶变换红外光谱、13C NMR 和 1H NMR)进行了分子表征,以确认合成化合物的身份。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Docking, Synthesis, Characterization and Antimicrobial Evaluation of 5-methylthiazolidine-4-ones
To overcome the widespread emergence of drug resistant pathological agents, newer treatment options are required to be found urgently. This research aims to design new molecules with antimicrobial activities using computational methods and to synthesize these compounds. The designed structures possessing thiazolidine-4-one heterocyclic moiety were evaluated for their in vitro antibacterial and antifungal activities and were found to exhibit antifungal and antibacterial properties. Molecular docking studies were conducted to examine the potential drug-protein interactions. Molecular characterization by spectral techniques (FT-IR, 13C NMR and 1H NMR) was carried out to confirm the identity of the synthesized compounds.
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