Table 2.

Energy docking values for 3CLpro and PLpro hydrogen-bonding interaction with compounds 1–3

Compound	3CLpro					PLpro
	Affinity for the best distance mode (kcal/mol)	Mode	Distance His41 (Å)	Distance Cys145 (Å)	Distance Glu166 (Å)	Affinity for the best distance mode (kcal/mol)	Mode	Distance Tyr268 (Å)
1	− 6.5	9	–	2.77	–	− 7.1	1	2.2
2	− 6.3	6	2.60	2.68	–	− 5.5	7	1.9
3	− 7.2	3	–	3.01	2.19	− 5.7	7	2.1
LPVa	− 5.1	9	2.92	–	–	− 5.7	9	1.8
RTVb	− 8.1	11	2.41	2.68	2.42	− 6.9	2	1.6
CLQc	− 6.4	1	–	–	2.11	− 5.9	8	1.1

^aPositive control: lopinavir

^bPositive control: ritonavir

^cPositive control: chloroquine