Table 1.

Examples of computationally derived molecules from drug repurposing for SARS-CoV-2.

Structure	Drug	Method	In vitro/ in vivo activity	Reference
	Baricitinib	knowledge graph	Significantly reduced viral load in human liver spheroids at 400 and 800 nM	[13–16]
	Clemastine	Protein interaction map	pIC50 5.67	[23]
	Cloperastine	Protein interaction map	pIC50 5.27	[23]
	Amodiaquine	Ligand-based virtual screen	EC50 0.13 μM and 5.4 μM	[27]
	Zuclopenthixol	Ligand-based virtual screen	1.35 μM and 15 μM	[27]
	Nebivolol	Ligand-based virtual screen	2.72 μM and 2.8 μM	[27]
	Dipyridamole	Docking in Mpro	IC50 0.53 μM, EC50~0.1 μM	[28]