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. 2021 Aug 30;1247:131394. doi: 10.1016/j.molstruc.2021.131394

Table 7.

Molecular docking analysis of studied compounds against IMPDH (1NF7).

Ligand No Ligands Free Energy of Binding (kcal/mol) Hydrogen bond Salt Bridge Hydrophobic
1 NMN -8.7 SER68, PRO69, ASN303, ARG322, GLY326, SER327, GLY328, ASP364, GLY365, SER388, TYR411 - -
2 Favipiravir-RMP -8.6 SER68, ASP274, SER275, ASN303, GLY328, MET414, GLY415 ARG322 -
3 Mizoribine monophosphate -8.9 SER68, ASN303, GLY326, SER327, GLY328, SER329, ILE330, ASP364, GLY365, GLY366, ILE367, GLY387, SER388, TYR411 - -
4 Ribavirin monophosphate -8.7 SER68, ASN303, ARG322, GLY324, GLY326, SER327, GLY328, SER329, ASP364, GLY366, SER388, TYR411 - -