In the present study, a series of 2-(4-(2-chloroacetyl)piperazin-1-yl)-N-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)acetamide derivatives was synthesized and its chemical structures were confirmed by physicochemical and spectral characteristics. The synthesized compounds were evaluated for their in vitro antimicrobial (tube dilution technique) and anticancer (MTT assay) activities along with molecular docking study by Schrodinger 2018-1, maestro v11.5. The antimicrobial results indicated that compounds 3, 8, 11 and 12 displayed the significant antimicrobial activity and comparable to the standards drugs (ciprofloxacin and fluconazole). The anticancer activity results indicated that compound 5 have good anticancer activity among the synthesized compounds but lower active than the standard drugs (5-fluorouracil and tomudex). Molecular docking study demonstrated that compounds 5 and 7 displayed the good docking score with better anticancer potency within the binding pocket and these compounds may be used as a lead for rational drug designing for the anticancer molecules.

中文翻译：

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新型2-(4-(2-氯乙酰基)哌嗪-1-基)-N-(2-(4-氯苯基)-4-氧代喹唑啉-3(4H)-基)乙酰胺衍生物的合成、分子对接和生物潜能

在本研究中，一系列2-(4-(2-氯乙酰基)哌嗪-1-基)-N-(2-(4-氯苯基)-4-氧代喹唑啉-3(4H)-基)乙酰胺衍生物被合成合成并通过物理化学和光谱特征确认了其化学结构。通过 Schrodinger 2018-1, maestro v11.5 评估合成化合物的体外抗菌（试管稀释技术）和抗癌（MTT 测定）活性以及分子对接研究。抗菌结果表明，化合物3、8、11和12表现出显着的抗菌活性，与标准药物（环丙沙星和氟康唑）相当。抗癌活性结果表明，化合物5在合成的化合物中具有良好的抗癌活性，但活性低于标准药物（5-氟尿嘧啶和tomudex）。分子对接研究表明，化合物5和7显示出良好的对接分数，在结合口袋内具有更好的抗癌效力，这些化合物可用作抗癌分子合理药物设计的先导。