Table 2.

Interaction between malaria and Ebola drugs and 1Q2W of COVID-19 with site 1 of COVID-19 protease (PDB code = 1Q2W)

Drug name	Ligand	Receptor	Interaction	Distance	E (kcal/mol)
Atovaquone	6-ring	CD PRO 122 (B)	pi-H	4.11	− 0.5
Chloroquine	O 5	NZ LYS 5 (A)	H-acceptor	3.34	− 0.9
	6-ring	CB LYS 137 (A)	pi-H	4.16	− 0.6
	6-ring	CA GLY 2 (B)	pi-H	3.49	− 0.5
Doxycycline	N 6	N GLN 127 (A)	H-acceptor	3.27	− 3.2
Mefloquine	O 41	OG1 THR 285 (A)	H-donor	3.09	− 0.9
Primaquine	F 1	N GLN 127 (B)	H-acceptor	3.05	− 0.6
	6-ring	CG LYS 5 (B)	pi-H	3.72	− 0.8
Tafenoquine	N 27	NH1 ARG 4 (B)	H-acceptor	3.58	− 1.6
	6-ring	CD LYS 5 (A)	pi-H	4.49	− 0.7
Favipiravir	N 13	O LYS 5 (A)	H-donor	3.16	− 1.6
	N 9	N GLN 127 (B)	H-acceptor	3.32	− 2.3
Ribavirin	O 1	O PHE 3 (B)	H-donor	2.98	− 0.8
	O 15	NZ LYS 5 (A)	H-acceptor	3.26	− 1.2
	O 26	N GLN 127 (B)	H-acceptor	3.14	− 3.2
	N 27	N GLN 127 (A)	H-acceptor	3.32	− 2.1
	5-ring	CB LYS 5 (B)	pi-H	3.99	− 0.7
Galidesivir	O 33	O PHE 3 (B)	H-donor	3.00	− 1.2
	N 9	NH1 ARG 4 (B)	H-acceptor	3.25	− 4.0
	N 12	N GLN 127 (A)	H-acceptor	3.59	− 1.0
	6-ring	CD LYS 5 (A)	pi-H	4.39	− 0.7
Brincidovir	O 63	O GLN 127 (B)	H-donor	3.02	− 2.9
	O 68	NH1 ARG 4 (A)	H-acceptor	2.95	− 2.4