The Molecular Docking and Dynamic Analyses of 3',5-Dihydroxy4',6,7-Trimethoxyflavanone, Isovitexin-2'-O-Rhamnoside, Solafuranone, (R)-5,3'-Dimethyl hesperidin, Phloretin 3',5'-Di-C -glucoside, Isomargaritene, Margaritene and Clemomandshuricoside B for Potential COVID-19 Therapy

Serap Yalcin
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Abstract

Covid-19 (SARS-CoV-2), a new type of coronavirus, first appeared in the Chinese city of Wuhan in December 2019 and has become the main cause of the pandemic today. Although molecular studies continue, vaccination studies are not sufficient. In this Covid-19 process, which provides further increase in antiviral drug discoveries, we perform ligand-protein interactions in order to find an antiviral active substance with this study, Autodock. We present the analyzes based on the comparison of 8 different ligands(3',5-Dihydroxy-4',6,7-trimethoxyflavanone, Isovitexin-2'-O-rhamnoside, Solafuranone, (R)-5,3'-Dimethyl hesperidin, Phloretin 3',5'-Di-C-glucoside, Isomargaritene, Margaritene and Clemomandshuricoside B) based on the 6LU7 protein. It was observed that the molecules were bound by interacting with the main protease of Covid-19. Thus, we aim to be a reference with you in this article for further studies that enable ligands to create drug potential. Our results will serve as a reference for this molecular docking study
3',5-Dihydroxy4',6,7-Trimethoxyflavanone, Isovitexin-2'-O-Rhamnoside, Solafuranone, (R)-5,3'-Dimethyl hesperidin, Phloretin 3',5'-Di-C -glucoside, Isomargaritene, Margaritene 和 Clemomandshuricoside B 的分子对接和动态分析,用于潜在的 COVID-19 疗法
Covid-19 (SARS-CoV-2)是一种新型冠状病毒,于 2019 年 12 月首次出现在中国武汉市,并成为当今大流行的主要原因。虽然分子研究仍在继续,但疫苗接种研究还不够充分。在这一Covid-19过程中,为进一步提高抗病毒药物的发现,我们进行配体-蛋白质相互作用,以便通过这项研究Autodock找到抗病毒活性物质。我们以 6LU7 蛋白为基础,对 8 种不同配体(3',5-二羟基-4',6,7-三甲氧基黄烷酮、异黄酮苷-2'-O-鼠李糖苷、茄呋喃酮、(R)-5,3'-二甲基橙皮甙、3',5'-二-C-葡萄糖苷、异马钱子烯、马钱子烯和胭脂虫苷 B)进行了比较分析。据观察,这些分子是通过与 Covid-19 的主要蛋白酶相互作用而结合的。因此,我们希望通过这篇文章与大家一起,为进一步研究提供参考,使配体能够创造药物潜力。我们的结果将作为分子对接研究的参考
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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