![]() ![]() The study design composed of some major aspects: (a) docking with main protease ( M pro), (b) docking with spike protein, (c) 3D shape similarity study (Rapid Overlay Chemical Similarity-ROCS) to the clinically used drugs in COVID-19 patients, and finally, (d) the rule of five and the estimated pre-ADMT properties of the separated flavonoids. ![]() These compounds were subjected to different virtual screening strategies in order to examine their activity to combat the COVID-19 outbreak. 3′-Hydroxy-4′-methoxy-chroman-7- O-β- D-glucopyranoside 4 was first isolated from a natural source, together with three known compounds, the ferulic acid heptyl ester 1, naringenin 2, and 4,2′,4′-trihydroxy-6′-methoxychalcone-4′- O-β- D-glucopyranoside 3, which were isolated from peach fruits. ![]()
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