Comparative Insilico Docking Study Involving Antagonistic Activity of CoumarinDerivatives on EGFR and CDK2

Riya Ann Thomas, Eva Sara Sunil, Anna Abel Fernandez, Soorya Anil, Anjana Antony, Ann Maria Davis, Godwin Thomas, S. T S, Greeshma Sreeram, Elizabeth Abraham P
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Abstract

Epidemiological evidence suggests that about 25% of cancer occurs due to chronic inflammation, thus it is clear that cancer and inflammation are related. Piroxicam is the one of the drug that is used in the treatment of both cancer and inflammation, but it is having some side effects like constipation, blurring of vision ,skin rashes etc. Coumarin is having both anti-inflammatory and anti-cancer activity so the purpose of this study is to screen the best target among EGFR and CDK2. Docking analysis was carried out using AutoDock4.  From the study it was found that EGFR showed better result compare to CDK2. Also methyl substitution at 8th position and chlorine substitution at 5th position of coumarin showed better activity than standard drug piroxicam and phytoconsitutents isofraxidin  andscopoletin.
香豆素衍生物对表皮生长因子受体(EGFR)和 CDK2 的拮抗作用的体内对接比较研究
流行病学证据表明,约 25% 的癌症是由慢性炎症引起的,因此癌症和炎症显然是相关的。吡罗昔康是一种同时用于治疗癌症和炎症的药物,但它也有一些副作用,如便秘、视力模糊、皮疹等。香豆素同时具有抗炎和抗癌活性,因此本研究的目的是在表皮生长因子受体(EGFR)和 CDK2 中筛选出最佳靶点。我们使用 AutoDock4 进行了对接分析。 研究发现,与 CDK2 相比,表皮生长因子受体的效果更好。此外,香豆素第 8 位的甲基取代和第 5 位的氯取代也显示出比标准药物吡罗昔康和植物营养素异佛手苷和莨菪亭更好的活性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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