新型咪唑吡啶-查尔酮抗结核药物的设计合成及其对接和细胞毒性研究

IF 0.8 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY
Rajakumar Patil, Dinesh S. Reddy, Vidya G, Hamzad Shanavaz, Sashivinay Kumar Gaddam, Nikhil Kadam, Deepak Kasai
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引用次数: 0

摘要

为开发新型抗结核药物,合成了咪唑吡啶-查尔酮缀合物。采用元素分析和光谱分析相结合的方法对新化合物进行了结构表征。用Vero细胞进行抗结核筛选和细胞毒性试验,以评价合成的化合物的有效性。发现很少有化合物比标准抗结核药物吡嗪酰胺更有效。基于对结核分枝杆菌InhA与NITD-916 (PDB: 4R9S)结合的对接实验,某些化合物显示出更强的蛋白结合亲和力。此外,最有效的抗结核化合物具有突出的安全性,并与靶蛋白表现出高水平的相互作用。它们可能作为新的抗结核治疗方法的线索而被证明是有价值的。结果表明,咪唑吡啶-查尔酮类化合物可为开发有效的抗结核药物提供良好的平台。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Design and Synthesis of Novel Imidazopyridine-Chalcone Hybrids As Potent Anti-TB Agents with Their Docking and Cytotoxicity Studies

Design and Synthesis of Novel Imidazopyridine-Chalcone Hybrids As Potent Anti-TB Agents with Their Docking and Cytotoxicity Studies

For the development of new anti-tubercular (TB) drugs, imidazopyridine-chalcone conjugates were synthesized. A combination of elemental and spectroscopy analysis was used for structural characterization of newly developed compounds. Anti-TB screening and cytotoxicity assays with Vero cells were conducted to evaluate the effectiveness of the synthesized compounds. It was found that few compounds were more effective than standard anti-TB drug pyrazinamide. Based on docking experiments performed on mycobacterium tuberculosis InhA bound to NITD-916 (PDB: 4R9S), certain compounds showed a greater affinity for protein binding. Moreover, the most active anti-TB compounds had outstanding safety profiles and exhibited high levels of interaction with the target protein. They may prove valuable as leads to new anti-TB treatments. The results clearly indicate that imidazopyridine-chalcone compounds may offer a good platform for developing effective antitubercular agents.

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来源期刊
CiteScore
1.40
自引率
22.20%
发文量
252
审稿时长
2-4 weeks
期刊介绍: Russian Journal of General Chemistry is a journal that covers many problems that are of general interest to the whole community of chemists. The journal is the successor to Russia’s first chemical journal, Zhurnal Russkogo Khimicheskogo Obshchestva (Journal of the Russian Chemical Society ) founded in 1869 to cover all aspects of chemistry. Now the journal is focused on the interdisciplinary areas of chemistry (organometallics, organometalloids, organoinorganic complexes, mechanochemistry, nanochemistry, etc.), new achievements and long-term results in the field. The journal publishes reviews, current scientific papers, letters to the editor, and discussion papers.
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