Table 3 Logarithms of Free Binding Energies (FBE, kcal/mol) of the Inhibitors to the Active Cavities of iNOS (PDBcode: 3E7G) and COX-2 (PDB code: 1CX2), and Targeting Residues with Hydrogen Bonding to the Inhibitors in the Binding Site Located on the Mobile Flap.

From: Molecular Diversity and Potential Anti-neuroinflammatory Activities of Cyathane Diterpenoids from the Basidiomycete Cyathus africanus

compound

iNOS

COX-2

log(FBE)

targeting residues

log(FBE)

targeting residues

11

−7.84

GLY371, TRP372,GLU377

−7.82

ARG120, TYR355

14

−8.24

GLU377

−9.31

ARG120