Molecular docking study on the structure of COVID-19 main protease (MPro) to find the best viral iinhibitor

Name: Molecular docking study on the structure of COVID-19 main protease (MPro) to find the best viral iinhibitor
Creator: figshare
Published: 2020-08-25 19:24:22
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DataCite Commons2020-08-25 更新2024-07-28 收录

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This study shows best binding affinity against the main protease of COVID-19 virus. As per the docking results first five compounds as a MPro inhibitor, Raltegravir (-8.9), Nystatin (-8.7), Talniflumate (-8.7), Itraconazole (-8.4), and Maraviroc (-8.4) from the tested compounds.<br>Email ID: u105850009@kmu.edu.tw<br><br>ARULANANDAM, CHARLI DEEPAK (2020): Molecular docking study on the structure of COVID-19 main protease (MPro) to find the best viral iinhibitor. figshare. Dataset. https://doi.org/10.6084/m9.figshare.12032745.v13<br>

本研究表明，受试化合物中针对新冠病毒主蛋白酶（COVID-19 main protease, MPro）结合亲和力最优的前五款MPro抑制剂分别为：雷特格韦（Raltegravir，结合能-8.9）、制霉菌素（Nystatin，结合能-8.7）、他尼氟酯（Talniflumate，结合能-8.7）、伊曲康唑（Itraconazole，结合能-8.4）以及马拉韦罗（Maraviroc，结合能-8.4），该结果基于分子对接实验所得。电子邮箱：u105850009@kmu.edu.tw ARULANANDAM、CHARLI DEEPAK（2020）：《新冠病毒主蛋白酶结构的分子对接研究以筛选最优病毒抑制剂》，figshare，数据集。https://doi.org/10.6084/m9.figshare.12032745.v13

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创建时间：

2020-03-27