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

2020-03-30T14:34:50Z (GMT) by CHARLI DEEPAK ARULANANDAM
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.

Email ID: u105850009@kmu.edu.tw

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