Inhibition of SARS-CoV-2 main protease by phenolic compounds from Manilkara hexandra (Roxb.) Dubard assisted by metabolite profiling and in silico virtual screening
Fatma Mohamed Abd El‐Mordy, Mohamed El-Hamouly, Magda Tohamy Ibrahim, Gehad Abd El-Rheem, Omar M. Aly, Adel M. Abd El-kader, Khayrya A. Youssif, Usama Ramadan Abdelmohsen · RSC Advances · 2020
-β-d-glucoside have strong interaction with SARS-CoV-2 protease with high binding energy of -8.2072, -7.1973, -7.5855, and -7.6750, respectively. Interestingly, the results proved that rutin which is a citrus flavonoid glycoside exhibits the strongest inhibition effect to the SARS-CoV-2 protease enzyme. Consequently, it can contribute to developing an effective antiviral drug lead against the SARS-CoV-2 pandemic.