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Abstract：
This study aimed to design, synthesize, and evaluate the cytotoxic activity of novel thiazole-sulfanilamide derivatives, specifically compounds M3, M4, and M5, through molecular docking and biological assays. The synthesis utilized essential chemical compounds, including sulfanilamide, chloro-acetyl chloride, thiourea, derivatives of benzaldehyde, and silver nitrate. The docking study was carried out using Molecular Operating Environment (MOE) software, and cytotoxic activity was predicted by MTT assay. The synthesized compounds demonstrated a reduction in the viability of cancer cells. Compound M5 had an IC50 of 18.53 µg/ml against MCF-7 cells, comparable to the IC50 of cisplatin. Additionally, compounds M3 and M4 had higher S scores than acetazolamide, indicating greater binding affinity to the active pocket of the receptor. Incorporating the thiazole ring in the synthesized compound augmented their flexibility and affinity for binding to the receptor. The inclusion of the metal complex additionally heightened the compounds\' capacity to impede cellular growth.
摘要：
本研究旨在设计，合成，并评估新型噻唑-磺胺衍生物的细胞毒性活性，特别是化合物M3，M4和M5，通过分子对接和生物测定。合成利用了必需的化合物，包括磺胺,氯-乙酰氯,硫脲,苯甲醛衍生物，和硝酸银。对接研究是使用分子操作环境（MOE）软件进行的，MTT法预测细胞毒性。合成的化合物显示出癌细胞活力的降低。化合物M5对MCF-7细胞的IC50为18.53μg/ml，与顺铂的IC50相当。此外,化合物M3和M4的S评分高于乙酰唑胺，表明与受体活性口袋的结合亲和力更大。在合成的化合物中引入噻唑环增强了它们与受体结合的灵活性和亲和力。金属配合物的加入还提高了化合物阻碍细胞生长的能力。
