Table 1.

The binding affinity energy values (docking S‐scores) estimated during molecular docking of the fifteen screened NAs against the two SARS‐CoV‐2 proteins, RdRp and ExoN enzymes (using remdesivir and molnupiravir as the positive control drugs). The fifteen NAs are arranged in a collective descending order, beginning from the top ranked one and ending with the least ranked one.

Compound	Classification	Docking S‐score [kcal/mol]
		RdRp (7BV2)	ExoN (7MC6)
Screened NAs	Riboprine	−7.5	−8.2
	Forodesine	−7.7	−7.9
	Tecadenoson	−7.4	−7.8
	Nelarabine	−7.5	−7.3
	Vidarabine	−7.3	−7.2
	Maribavir	−6.8	−7.5
	Neplanocin A	−7.2	−6.9
	Tubercidin	−7.0	−6.7
	Cladribine	−6.9	−6.7
	Decoyinine	−6.3	−7.1
	Aristeromycin	−6.2	−7.1
	Fludarabine	−6.2	−6.9
	Clofarabine	−6.2	−6.8
	Psicofuranine	−6.1	−6.8
	8‐Chloroadenosine	−6.0	−6.6
Reference Drugs	Remdesivir	−6.8	−7.4
	Molnupiravir	−6.6	−7.5