AutoDock VINA: Docking study on the structure of COVID-19 main protease (MPro) to find the best viral inhibitor
收藏Figshare2020-05-09 更新2026-04-08 收录
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https://figshare.com/articles/Molecular_docking_study_on_the_structure_of_COVID-19_main_protease_MPro_to_find_the_best_viral_iinhibitor/12032745/25
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Docking study shows best binding affinity against the main protease of COVID-19. As per the docking results top twelve compounds as a MPro inhibitor, Coumermycin A1 (-10.2), Irinotecan (-9.4), Suramin (-9.4), Trovafloxacin (-9.3), Aclarubicin (-9.0), Dactinomycin (-9.0), TG-100801 (-9.0), Raltegravir (-8.9), Digoxin (-8.9), Etoposide (-8.9), Doxorubicin (-8.8), and Venetoclax (-8.8) from the tested compounds.<br>Email ID: u105850009@kmu.edu.tw<br><br>https://doi.org/10.6084/m9.figshare.12032745.v13<br>
提供机构：
CHARLI DEEPAK ARULANANDAM
创建时间：
2020-04-07
