Table 3.

In silico screening results of top candidates of the reported chaetomugilins and chaetoviridins against SARS-CoV-2 3CL protease (PDB: 6W81, 6M2N, and 7K0F).

Name & Structure	For 6W81				For 6M2N				For 7K0F
	Docking Score	Glide Gscore	Glide Emodel	XP GScore	Docking Score	Glide Gscore	Glide Emodel	XP Gscore	Docking Score	Glide Gscore	Glide Emodel	XP Gscore
	−6.901	−6.918	−45.952	−6.918	−6.862	−6.879	−40.382	−6.879	−6.428	−6.445	−45.402	−6.445
	−6.634	−6.933	−53.592	−6.933	−6.657	−7.205	−59.649	−7.205	−6.214	−6.762	−57.163	−6.762
	−7.293	−7.294	−52.497	−7.294	−7.851	−7.851	−46.384	−7.851	−6.886	−6.904	−44.124	−6.904
	−6.838	−7.269	−59.268	−7.269	−7.4	−7.791	−61.032	−7.791	−6.599	−7.03	−50.901	−7.03
	−6.94	−6.958	−40.421	−6.958	−6.921	−6.939	−42.35	−6.939	−6.886	−6.904	−44.124	−6.904
	−6.48	−6.48	−57.388	−6.48	−7.519	−7.519	−67.872	−7.519	−7.311	−7.311	−65.197	−7.311
	−7.944	−7.944	−51.069	−7.944	−8.141	−8.141	−48.92	−8.141	−6.615	−6.615	−60.199	−6.615
Ref_6W81	−5.377	−5.377	−86.001	−5.377
Ref_6M2N					−6.995	−6.995	−52.4	−6.995
Ref_K0F									−8.159	−8.159	−113.296	−8.159