Intermolecular interaction energies obtained through Vina.

Compounds	Intermolecular interactions and energy (kcal mol−1)
	RdRp (3H5Y)	H-Bond	RdRp (Y176C)	H-Bond	Mpro (5R82)	H-Bond
	−6.5	Ser300, Asp247, Asp343, Tpr246, Asn309, G8	−5.6	Asn309, Trp246	−4.4	His41
	−6.5	Ser300, Asp247, Asp343, Asn309, G8	−5.6	Trp246, Asn309	−4.4	Gln189, His41
	−6.4	Arg182, Asn309, Asp343, Trp246, G8	−5.5	Trp246, Asn309	−4.8	His164, Arg188
	−6.3	Arg182, Asp343, G8	−5.4	Arg182, Asp247, Gln66, Ser246,	−4.6	Arg188, Gln189, His41, His164
	−6.3	Arg182, Asn309, Asp343, G8	−5.5	Tyr243, Asp343, Arg182, Asp247	−4.6	Gln189, His41
	−6.3	Arg182, Asp343, Asn309, G8, Trp246	−5.4	Arg182, Asp242, Tyr243, Asp343, Asp247	−4.7	Gln189, His164, His41