A series of 2‐(2‐(2‐chlorophenyl)quinoline‐4‐carbonyl)‐N‐substituted hydrazinecarbothioamide derivatives were synthesized by facile and efficient conventional method. The structures of the compounds were elucidated with the aid of an elemental analysis, IR, ESI‐MS, ¹H‐NMR, and ¹³C‐NMR spectral data. The synthesized compounds were evaluated for their in vitro antibacterial, antifungal, antimalarial, and antituberculosis activity against standard drugs. The bacterial studies were determined against gram‐positive and negative bacteria. These compounds were found to a broad spectrum of activity against the screened bacteria, but poor activity was observed against Pseudomonas aeruginosa and Escherichia coli. Compounds 8d, 8f, 8i, 8l, and 8n showed the potent activity against Staphylococcus aureus. Compounds 8d, 8g, 8k, 8l, and 8q show the potent activity against antimalarial as compared with the standard drugs Chloroquine, Quinine and compounds 8h, 8n, and 8o shows mild activity against H37Rv strain. Molecular docking revealed that synthesized derivatives and target proteins were actively involved in a binding pattern and had a significant corelation with biological activity. We have also performed a molecular dynamics and ADME‐Tox parameters for the synthesized compounds.

中文翻译：

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2-（2-（2-（氯苯基））喹啉-4-羰基）-N-取代的肼基甲硫代酰胺衍生物的合成，对接，ADME-Tox研究及其生物学评价

通过简便有效的常规方法合成了一系列2-（2-（2-（2-氯苯基）喹啉-4-羰基）-N-取代的肼基甲硫代酰胺衍生物。借助元素分析，IR，ESI-MS，¹ H-NMR和¹³ C-NMR光谱数据阐明了化合物的结构。评估合成的化合物对标准药物的体外抗菌，抗真菌，抗疟疾和抗结核活性。确定了针对革兰氏阳性和阴性细菌的细菌研究。发现这些化合物对被筛选的细菌具有广谱的活性，但对铜绿假单胞菌和铜绿假单胞菌的活性却很差。大肠杆菌。化合物8d，8f，8i，8l和8n对金黄色葡萄球菌表现出强大的活性。与标准药物氯喹，奎宁相比，化合物8d，8g，8k，8l和8q表现出对抗疟疾的有效活性，化合物8h，8n和8o表现出对H37Rv的温和活性拉紧。分子对接揭示合成的衍生物和靶蛋白积极参与结合模式，并与生物活性显着相关。我们还对合成的化合物执行了分子动力学和ADME-Tox参数。