Comprehensive In Silico Screening of the Antiviral Potentialities of a New Humulene Glucoside from Asteriscus hierochunticus against SARS-CoV-2

Figure 5

(a) 3D view of the cocrystallized ligand (PRD_002214) docked into the active site of COVID-19 main protease. (b) 2D view of PRD_002214 docked into the active site of COVID-19 main protease. (c) Mapping surface showing PRD_002214 occupying the active pocket of COVID-19 main protease.

(a)

(b)

(c)