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Synthesis, molecular docking and biological evaluation of new quinoline analogues as potent anti-breast cancer and antibacterial agents
Indian Journal of Chemistry, Section B ( IF 0.456 ) Pub Date : 2021-09-29
Shrimant V Rathod, Kailas W Shinde, Prashant S Kharkar, Chetan P Shah, K Aruna, Darshana A Raut

A new class of quinoline analogues have been synthesized from isatin through two steps in good yields. They have been further evaluated for their anticancer activity against a breast cancer cell line (MDA-MB-231) and antibacterial activity against Gram-positive bacteria (Staphylococcus aureus 6538p and Bacillus subtilis) and Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa). All synthesized compounds have been confirmed by spectral characterization viz. FT-IR, MS, HPLC, 1H and 13C NMR. Among them, compound 4h exhibits promising anti-breast cancer activity whereas compounds 4d, 4f, 4h and 4j exhibit moderate antibacterial activity against all the tested organisms. Molecular docking analysis demonstrates the interaction of compound 4h with the active site amino acid of Human Carbonic Anhydrase I, Protein Kinase A and Kinesin Spindle Protein (KSP).

中文翻译:

新型喹啉类似物作为有效抗乳腺癌和抗菌剂的合成、分子对接和生物学评价

已经从靛红通过两个步骤以良好的产率合成了一类新的喹啉类似物。进一步评估了它们对乳腺癌细胞系 (MDA-MB-231) 的抗癌活性和对革兰氏阳性菌(金黄色葡萄球菌 6538p 和枯草芽孢杆菌)和革兰氏阴性菌(大肠杆菌和铜绿假单胞菌)的抗菌活性. 所有合成的化合物均已通过光谱表征确认。FT-IR、MS、HPLC、1 H 和13核磁共振。其中,化合物 4h 表现出有希望的抗乳腺癌活性,而化合物 4d、4f、4h 和 4j 对所有测试生物均表现出中等抗菌活性。分子对接分析表明化合物 4h 与人碳酸酐酶 I、蛋白激酶 A 和驱动蛋白纺锤体蛋白 (KSP) 的活性位点氨基酸相互作用。
更新日期:2021-09-29
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