The current study addressed the synthesis of thiazole-based thiazolidinone derivatives (1–18) using stepwise reaction processes, and their structure was confirmed using various characterization techniques such as HNMR, CNMR, and HREI-MS. Furthermore, the biological features of these analogues as anti-cancer drugs against human cancer cell lines (HCC78 and H3122) were identified. Their inhibitory potentials were determined using the half-maximal inhibitory concentration (MIC) in the presence of their standard drugs Tetrandrineb (IC = µM), respectively. Structure activity relationship (SAR) was established for all the synthesized scaffolds and compared their inhibitory potentials with standard, in which scaffolds (IC = µM), (IC = µM), (IC = µM), (IC = µM), (IC = µM), (IC = µM), (IC = µM), (IC = µM), (IC = µM) and (IC = µM) exhibited the most influential activity. These compounds were subsequently examined using molecular docking experiments, which evaluate the binding interactions of ligands with enzyme active sites.

中文翻译：

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作为有效抗癌剂的噻唑-噻唑烷酮衍生物的设计、合成、体外生物学评估和计算机分子建模研究

目前的研究采用逐步反应过程合成基于噻唑的噻唑烷酮衍生物 (1-18)，并使用各种表征技术（如 HNMR、CNMR 和 HREI-MS）确认了其结构。此外，还鉴定了这些类似物作为针对人类癌细胞系（HCC78和H3122）的抗癌药物的生物学特征。分别使用标准药物粉防己碱 (IC = µM) 存在下的半最大抑制浓度 (MIC) 确定它们的抑制潜力。对所有合成的支架建立结构活性关系（SAR），并将其抑制潜力与标准进行比较，其中支架（IC = µM），（IC = µM），（IC = µM），（IC = µM），（IC = µM)、(IC = µM)、(IC = µM)、(IC = µM)、(IC = µM) 和 (IC = µM) 表现出最有影响力的活性。随后使用分子对接实验对这些化合物进行了检查，该实验评估了配体与酶活性位点的结合相互作用。