Table 4.
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 |
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