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Table 4 Possible binding sites of NSP7-NSP8 against known anti-viral drugs

From: Predicted antiviral drugs Darunavir, Amprenavir, Rimantadine and Saquinavir can potentially bind to neutralize SARS-CoV-2 conserved proteins

Drugs   Total binding sites    (7JLT) NSP7-NSP8 of COVID-19
Amprenavir Known similar target molecule Protease, HIV-1
Binding properties 2 1 Superposition type L
RMSD 1.09 Å
Amino acid targets of drug 184 LEU
130 VAL
132 ILE
No. of residues in known binding 18
Human similar targets 5
2 Superposition type R
RMSD 1.07 Å
Amino acid targets of drug 13 LEU
11 VAL
16 VAL
12 VAL
No. of residues in known binding 18
Human similar targets 5
Darunavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type R
RMSD 0.99 Å
Amino acid targets of drug 13 LEU
11 VAL
16 VAL
No. of residues in known binding 20
Human similar targets 6
Nelfinavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type R
RMSD 0.92 Å
Amino acid targets of drug 77 ASP
78 ASN
93 THR
No. of residues in known binding 30
Human similar targets 10
Rimantadine Known similar target molecule M2 protein, Influeza A
Binding properties 1 1 Superposition type L
RMSD 0.96 Å
Amino acid targets of drug 83 VAL
86 ALA
85 SER
No. of residues in known binding 10
Human similar targets 0
Saquinavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type R
RMSD 0.97 Å
Amino acid targets of drug 160 VAL
183 PRO
185 ILE
No. of residues in known binding 31
Human similar targets 5
  1. Features of different drug binding motifs. HIV-1 Human Immunodeficiency virus 1, RMSD Root Mean Square Deviation, Å angstrom, ILE isoleucine, GLY glycine, VAL valine, LEU leucine, PRO proline, ASP aspartic acid