Table 2.

Binding energy (kcal/mol) results of the top scoring compounds 8, 11, 15, 19 and 20.

Target	vdW	Electrostatic	Gtotal
11a-Dehydroxyisoterreulactone A (11) - 3CLpro	−54.39	−16.40	−11.68
Quinadoline B (19) – spike protein	−51.32	−36.48	−10.47
Isochaetochromin D1 (8) – nsp15	−49.99	−12.23	−7.03
Quinadoline B (19) – RdRp	−36.54	−2.36	−8.47
Norquinadoline A (20) – PLpro	−32.48	−13.32	−9.17
Scedapin C (15) – PLpro	−44.28	−11.46	−8.63