Table 8 Possible binding sites of NSP13 against known anti-viral drugs
Drugs | Total binding sites | (7NIO) NSP13 of COVID-19 | |||
|---|---|---|---|---|---|
Amprenavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | R | |
RMSD | 0.81 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 24 | ||||
Human similar targets | 6 | ||||
2 | Superposition type | L | |||
RMSD | 0.92 Å | ||||
Amino acid targets of drug | 151 ILE 184 GLY 195 ILE | ||||
No. of residues in known binding | 24 | ||||
Human similar targets | 6 | ||||
3 | Superposition type | L | |||
RMSD | 0.76 Å | ||||
Amino acid targets of drug | 226 VAL 184 GLY 195 ILE | ||||
No. of residues in known binding | 18 | ||||
Human similar targets | 16 | ||||
Atazanavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.84 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 3 | ||||
Darunavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.76 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 6 | ||||
2 | Superposition type | L | |||
RMSD | 0.72 Å | ||||
Amino acid targets of drug | 226 VAL 184 GLY 195 ILE | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 12 | ||||
Indinavir | Known similar target molecule | Polyprotein, HIV-1 | |||
Binding properties | 3 | 1 | Superposition type | L | |
RMSD | 0.72 Å | ||||
Amino acid targets of drug | 226 VAL 184 GLY 195 ILE | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 3 | ||||
2 | Superposition type | R | |||
RMSD | 0.92 Å | ||||
Amino acid targets of drug | 399 ILE 400 GLY 282 GLY | ||||
No. of residues in known binding | 22 | ||||
Human similar targets | 7 | ||||
3 | Superposition type | L | |||
RMSD | 0.84 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 21 | ||||
Human similar targets | 6 | ||||
Lopinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.84 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 4 | ||||
2 | Superposition type | L | |||
RMSD | 0.79 Å | ||||
Amino acid targets of drug | 282 GLY 400 GLY 376 ILE | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 6 | ||||
Nelfinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.82 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 30 | ||||
Human similar targets | 9 | ||||
Rimantadine | Known similar target molecule | M2 protein, Influeza A | |||
Binding properties | 2 | 1 | Superposition type | L | |
RMSD | 0.88 Å | ||||
Amino acid targets of drug | 01 ALA 13 SER 03 GLY | ||||
No. of residues in known binding | 9 | ||||
Human similar targets | 0 | ||||
2 | Superposition type | R | |||
RMSD | 0.84 Å | ||||
Amino acid targets of drug | 522 ALA 523 SER 527 GLY | ||||
No. of residues in known binding | 9 | ||||
Human similar targets | 0 | ||||
Ritonavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.82 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 18 | ||||
Human similar targets | 4 | ||||
Saquinavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | R | |
RMSD | 0.73 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 3 | ||||
Tipranavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.87 Å | ||||
Amino acid targets of drug | 258 ILE 294 GLY 293 ILE | ||||
No. of residues in known binding | 27 | ||||
Human similar targets | 7 | ||||