Table 4 Binding affinities and interactions of top ten ligands against nsp15
Target | Cpd | Binding affinity (kcal/mol) | Hydrogen bonds | Other interactions |
|---|---|---|---|---|
nsp15 | 15 | āā8.6 | Met243 | Met243, Tyr262, Glu258, His362, Ala256 |
4 | āā8.5 | None | Lys281, Glu285, Tyr262, Met243 | |
1 | āā8.4 | Gly254 | Met243, Ala256, Glu258 | |
25 | āā8.1 | Phe265, Ser266 | Lys281, Ser266, Ala256 | |
23 | āā8 | None | Glu258, Ala256, Gly263, Asp264, Phe265 | |
26 | āā7.8 | Glu285, Glu364 | Ala256, Ser266, Met243, Lys281, Glu285 | |
12 | āā7.7 | Glu285 | Ala256, Met243, Tyr262, Lys281 | |
14 | āā7.7 | Arg282 | Glu285, Lys281, Phe265 | |
13 | āā7.3 | Gly263, Asp264 | Ala256, His259, Asp264, Met243, Glu285 | |
17 | āā7.3 | Glu258 | None |