Synthesis, anticancer activity and molecular docking studies of novel pyrido[1,2-a]pyrimidin-4-one derivatives

Zhibin Luo; Anil Valeru; Srishylam Penjarla; Bin Liu; Imran Khan

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Synthesis, anticancer activity and molecular docking studies of novel pyrido[1,2-a]pyrimidin-4-one derivatives

机译：新型吡啶的合成，抗癌活性和分子对接研究[1,2-A]嘧啶-4-一种衍生物

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摘要

A series of novel triazolothione, thiadiazole, triazole, and oxadiazolefunctionalized pyrido[1,2-a]pyrimidin-4-ones 6a-6l and 7a-7f were prepared, starting from pyridine derivatives 1a and 1b. All the compounds 6a-6l and 7a-7f were screened against four human cancer cell lines (HeLa, COLO205, Hep G2, and MCF 7), among which compounds 6d, 6h, 6j, 7b, and 7e showed promising anticancer activity. Molecular docking studies showed good binding energy and exhibited interactions and better lower free energy values, indicating more thermodynamically favored interaction.

机译：从吡啶衍生物1a和1b开始，制备一系列新型三唑噻吩，噻二唑，三唑和恶二唑官能化吡啶[1,2-a]嘧啶-4-4-6×6a-61和7a-7f。将所有化合物6a-61和7a-7f筛选到四种人癌细胞系（Hela，colo205，hep g2和mcf 7）中，其中化合物6d，6h，6j，7b和7e显示出有前途的抗癌活性。分子对接研究显示出良好的结合能量，并表现出相互作用和更低的自由能值，表明更热力学最有利的相互作用。

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来源
《Synthetic Communications》 |2019年第20期|共9页
作者
Zhibin Luo; Anil Valeru; Srishylam Penjarla; Bin Liu; Imran Khan;
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作者单位

School of Chemistry and Chemical Engineering Jiangsu University Zhenjiang P. R. China;

School of Chemistry and Chemical Engineering Jiangsu University Zhenjiang P. R. China;

Department of Chemistry National Institute of Technology Raipur India;

School of Chemistry and Chemical Engineering Jiangsu University Zhenjiang P. R. China;

School of Chemistry and Chemical Engineering Jiangsu University Zhenjiang P. R. China;

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原文格式 PDF
正文语种 eng
中图分类有机化学;
关键词
Anticancer activity; molecular docking studies; pyrido1; 2-apyrimidin-4- one; thiadiazole; triaxolothione; triazole;

机译：抗癌活动;分子对接研究;pyrido [1;2-a]嘧啶-4-一;噻二唑;三佐噻唑;三唑;

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1. Synthesis, anticancer activity and molecular docking studies of novel pyrido[1,2-a]pyrimidin-4-one derivatives [J] . Zhibin Luo, Anil Valeru, Srishylam Penjarla, Synthetic Communications . 2019,第17a20期

机译：新型吡啶的合成，抗癌活性和分子对接研究[1,2-A]嘧啶-4-一种衍生物
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Synthesis, anticancer activity and molecular docking studies of novel pyrido[1,2-a]pyrimidin-4-one derivatives

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