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Synthesis and docking studies of novel benzopyran-2-ones with anticancer activity.

机译:具有抗癌活性的新型苯并吡喃-2-酮的合成与对接研究。

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摘要

Novel series of 7-substituted-benzopyran-2-ones was synthesized by incorporating heterocyclic rings as oxadiazole, triazole, pyrazole or pyrazolin-5-one to benzopyran-2-one nucleus at p-7 via methylene-oxy or acetoxy linker. In-vitro anticancer activity was evaluated for these hybrids; twelve compounds were selected by National Cancer Institute for anticancer screening. Among them, compound 9a exhibited broad spectrum antitumor activity showing full panel median growth inhibition (GI(50)) = 5.46 microM. According to docking results using Molsoft ICM 3.4-8c program, the target compounds may act through inhibition of topoismerase 1, where camptothecin is used as ligand.
机译:通过将杂环如恶二唑,三唑,吡唑或吡唑啉-5-酮通过亚甲基-氧或乙酰氧基连接到p-7的苯并吡喃-2-酮核上,合成了一系列新的7-取代-苯并吡喃-2-酮。对这些杂种的体外抗癌活性进行了评估。美国国家癌症研究所选择了十二种化合物进行抗癌筛选。其中,化合物9a表现出广谱抗肿瘤活性,显示出全面板中位生长抑制(GI(50))= 5.46 microM。根据使用Molsoft ICM 3.4-8c程序进行的对接结果,目标化合物可能通过抑制拓扑磷酸酶1发挥作用,其中喜树碱用作配体。

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