Molecular docking: Hydroxychloroquine alternative to inhibit the COVID-19 main protease (MPro)

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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. ARULANANDAM, CHARLI DEEPAK (2020): Molecular docking: Hydroxychloroquine alternative to inhibit the COVID-19 main protease (MPro). figshare. Dataset. https://doi.org/10.6084/m9.figshare.12032745.v26

创建时间：

2024-07-22