TABLE 1.

Docking of the SARS-CoV-2 spike protein (PDB id = 6VXX) to selected drugs.

Drug	Protein form	MolDock score	Protein – ligand interactions	H-bonds	Interacting amino acids
Chloroquine	Closed	–74.777	–93.770	0.000	—–
	Open	–72.019	–89.604	–4.967	Gln957, Lys964
Hydroxychloroquine	Closed	–84.427	–107.534	–4.970	Thr961
	Open	–89.421	–107.043	–4.329	Gln1010
Ivermectin	Closed	–140.584	–139.371	–9.530	Thr307, Glu309, Ile3,12, Asn953
	Open	–140.581	–127.699	–5.495	Lys310, Tyr313, Asn953
Remdesivir	Closed	–111.007	–122.699	–10.106	Leu303, Glu309, Asn953
	Open	–110.367	–111.887	–9.071	Thr961, Arg1014
Favipiravir	Closed	–59.437	–78.637	–12.229	Tyr1007, Gln1011, Arg1014
	Open	–54.176	–68.112	–6.432	Arg1014

Docking parameters was conducted using Molegro Virtual Docker 6.0.