Table 1.

In silico repurposing approaches to screening drug candidates for the treatment of COVID-19.

Target	Initial indications	Drug name	Stage	Screening method	Refs.
3CLpro	Anti-microbial drug	Viomycin	FDA approved	Molecular docking and molecular dynamics simulation	[41]
	Hyponatremia	Conivaptan	FDA approved	Molecular docking and molecular dynamics simulation	[42]
	Allergy	Azelastine	FDA approved	Molecular docking and molecular dynamics simulation	[42]
	Plant	Oolonghomoisflavan-A	NA	Molecular docking and molecular dynamics simulation	[43]
	NA	Leupeptin, hemisulphate, pepstatin A, nelfinavir, lypression, birinapant, and octreotide	Approved	Molecular dynamics simulation and virtual screening	[44]
	NA	Binifibrate, bamifylline, rilmazafon, afatinib, ezetimibe, macimorelin, and acetate	Approved	E-pharmacophore based virtual screening, structure based virtual screening, and estimation of dinding free energy	[45]
	NA	Nelfinavir and itacitinib	FDA approved	Molecular docking and bioactivity model	[46]
	NA	Sepimostat and curcumin	Approved	Structure-based virtual screenings	[47]
	HCV drugs	Velpatasvir and ledipasvir	Approved	Virtual screening	[48]
	Vitamin	Vitamin B12 and nicotinamide	FDA approved	Schrodinger glide docking module	[49]
	Antiviral drug	Telbivudine	FDA approved	Schrodinger glide docking module	[49]
RdRp	Antiviral drug	Ribavirin, remdesivir, sofosbuvir, galidesivir, tenofovir, favipiravir, cefuroxime, hydroxychloroquine, and IDX-184	Approved	Molecular docking	[[50], [51], [52], [53], [54]]
	Neurokinin-1 receptor antagonist	Casopitant	Developent	Virtual screening	[55]
PLpro	Antiviral drug	Valganciclovir and thymidine	Approved	Homology modeling and molecular docking	[56]
	Anti-bacterial drug	Cefamandole and tigecycline	Approved	Homology modeling and molecular docking	[56]
	Muscle relaxant drug	Chlorphenesin carbamate	Approved	Homology modeling and molecular docking	[56]
	Anti-tussive drug	Levodropropizine	Approved	Homology modeling and molecular docking	[56]
S glycoprotein	NA	Ivermectin	FDA approved	Molecular dynamics simulation	[57]
ACE2	NA	Lividomycin, burixafor, quisinostat, fluprofylline, pemetrexed, spirofylline, edotecarin, and diniprofylline	Approved	Molecular docking	[58]
TMPRSS2	Respiratory diseases and pneumonia	Bromhexine hydrochloride	Approved	Virtual screening	[59]
	NA	Benzquercin	FDA approved	Virtual screening	[60]

NA: not available.