化学
赫拉
细胞毒性
喹啉
硝基
IC50型
立体化学
细胞凋亡
对接(动物)
组合化学
生物活性
铅化合物
体外
生物化学
有机化学
医学
烷基
护理部
作者
Vandana Nandakumar,Sentamil Selvi Ramasamy,Kaviyarasu Adhigaman,Deepak Arumugam,R. Shankar,Raju Vivek,S. Athimoolam,Suresh Thangaraj
标识
DOI:10.1002/cbdv.202401636
摘要
A new series of acyl hydrazones have been synthesized from 4-chloro-8-nitro-1,2-dihydroquinoline-3-carbaldehyde. These compounds were characterized using various spectroscopic techniques. Density functional theoretical (DFT) studies were conducted to understand the correlation between electronic parameters and biological activity. The biological activity of the compounds was theoretically examined through molecular docking and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) analysis. The compounds demonstrated high absorption rates and were found to be non-hepatotoxic. Preliminary cytotoxicity screenings against HeLa cell lines identified compound 7 as the most potent, with an IC
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