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Table 10 Possible binding sites of NSP15 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    (6VWW) NSP15 endoribonuclease of COVID-19
Amprenavir Known similar target molecule Protease, HIV-1
Binding properties 2 1 Superposition type L
RMSD 0.90 Å
Amino acid targets of drug 72 ILE
157 GLY
156 VAL
No. of residues in known binding 25
Human similar targets 4
2 Superposition type L
RMSD 0.66 Å
Amino acid targets of drug 251 LEU
276 VAL
296 ILE
No. of residues in known binding 19
Human similar targets 5
Atazanavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type L
RMSD 0.83 Å
Amino acid targets of drug 72 ILE
157 GLY
156 VAL
No. of residues in known binding 24
Human similar targets 4
Darunavir Known similar target molecule Protease, HIV-2
Binding properties 5 1 Superposition type L
RMSD 1.00 Å
Amino acid targets of drug 3 LEU
23 VAL
6 VAL
No. of residues in known binding 20
Human similar targets 6
2 Superposition type L
RMSD 0.95 Å
Amino acid targets of drug 72 ILE
157 GLY
156 VAL
No. of residues in known binding 20
Human similar targets 10
3 Superposition type R
RMSD 0.77 Å
Amino acid targets of drug 73 LEU
80 ILE
86 ILE
No. of residues in known binding 22
Human similar targets 12
4 Superposition type R
RMSD 0.91 Å
Amino acid targets of drug 300 LEU
212 ILE
253 ILE
No. of residues in known binding 22
Human similar targets 12
5 Superposition type L
RMSD 0.77 Å
Amino acid targets of drug 300 LEU
296 ILE
253 ILE
No. of residues in known binding 22
Human similar targets 12
Indinavir Known similar target molecule Protease retropepsin,
HIV-1
Binding properties 3 1 Superposition type R
RMSD 0.99 Å
Amino acid targets of drug 122 VAL
119 PRO
80 ILE
No. of residues in known binding 21
Human similar targets 6
2 Superposition type R
RMSD 0.87 Å
Amino acid targets of drug 173 VAL
170 GLY
169 ILE
No. of residues in known binding 21
Human similar targets 3
3 Superposition type L
RMSD 0.96 Å
Amino acid targets of drug 321 VAL
344 PRO
323 ILE
No. of residues in known binding 21
Human similar targets 6
Lopinavir Known similar target molecule Protease,
HIV-1
Binding properties 3 1 Superposition type R
RMSD 0.90 Å
Amino acid targets of drug 122 VAL
119 PRO
80 ILE
No. of residues in known binding 23
Human similar targets 6
2 Superposition type R
RMSD 0.80 Å
Amino acid targets of drug 247 GLY
248 GLY
236 ILE
No. of residues in known binding 27
Human similar targets 6
3 Superposition type L
RMSD 0.89 Å
Amino acid targets of drug 321 VAL
344 PRO
323 ILE
No. of residues in known binding 23
Human similar targets 6
Saquinavir Known similar target molecule Protease, HIV-1
Binding properties 3 1 Superposition type L
RMSD 0.81 Å
Amino acid targets of drug 72 ILE
157 GLY
156 VAL
No. of residues in known binding 31
Human similar targets 11
2 Superposition type R
RMSD 0.92 Å
Amino acid targets of drug 122 VAL
119 PRO
80 ILE
No. of residues in known binding 31
Human similar targets 5
3 Superposition type L
RMSD 0.68 Å
Amino acid targets of drug 321 VAL
344 PRO
323 ILE
No. of residues in known binding 22
Human similar targets 9
Tipranavir Known similar target molecule Protease, HIV-1
Binding properties 1 1 Superposition type L
RMSD 0.88 Å
Amino acid targets of drug 72 ILE
157 GLY
156 VAL
No. of residues in known binding 27
Human similar targets 3
Torimifene Known similar target molecule ENV, Glycoprotein-1,
Zaire ebola virus
Binding properties 1 1 Superposition type L
RMSD 0.88 Å
Amino acid targets of drug 72 ILE
157 GLY
156 VAL
No. of residues in known binding 27
Human similar targets 3
  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