Table 1.

The binding details of all compounds against the WT Mpro.

Protein	Inhibitor	Score	Residues
			Hydrogen Bond	Pi Interactions
WT	PF-00835231	83.13	G143, C145, H164, E166, Q189	H41, P168
	Manidipine	72.93	F140, N142, E166	H41, L141, M165
	Boceprevir	67.42	N142, E166, Q189	H41, M49, C145
	Lercanidipine	69.73	Q189, Q192	C145, M165, L167, P168
	Efonidipine	71.23		H41, C145, M165, P168, A191
	Bedaquiline	66.92	N142	H41