Abstract：
The compounds 2-chloro-N-(3-methoxyphenyl)acetamide (m-acetamide) and 2-(3-methoxyphenylamino)-2-oxoethyl methacrylate (3MPAEMA) were synthesized in this study for the first time in the literature. FTIR, 1H, and 13C NMR spectroscopic techniques were used to characterize it. Subsequently, computational techniques were used to assess various ADME factors, such as drug-likeness properties, bioavailability score, and adherence to Lipinski\'s rule. Finally, molecular docking experiments were conducted with the human topoisomerase α2 (TOP2A) protein to verify and validate the reliability and stability of the docking procedure. The results of the docking scores, which quantify binding affinity, indicated that these derivatives exhibited a stronger affinity for TOP2A.
摘要：
本研究首次合成了化合物2-氯-N-(3-甲氧基苯基)乙酰胺(间乙酰胺)和甲基丙烯酸2-(3-甲氧基苯基氨基)-2-氧代乙酯(3MPAEMA)。FTIR,1H,和13CNMR光谱技术被用来表征它。随后，计算技术被用来评估各种ADME因素，如药物相似特性，生物利用度评分，并遵守Lipinski的规则。最后,用人拓扑异构酶α2（TOP2A）蛋白进行分子对接实验，以验证和验证对接程序的可靠性和稳定性。对接得分的结果，量化结合亲和力，表明这些衍生物对TOP2A表现出更强的亲和力。
