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Table 4 Results of molecular docking experiments targeting antibacterial protein WAAG

From: Aromatase and glycosyl transferase inhibiting acridone alkaloids from fruits of Cameroonian Zanthoxylumspecies

Molecule H-bonds Bound amino acid residues of WAAG Binding affinity (kcal/mol)
16 ASP-19, ILE-285, GLY-284, LYS-209, ALA-283, GLU-281, ARG-261, GLY-15, ARG-208, ARG-18, ARG-173, GLU-289 -10.7
Uridine-5’-diphosphate-2-deoxy-2-fluoro-alpha- d-glucose (Control inhibitor)
03 ARG-173, LYS-209, ARG-261 -8.6
Compound 1
02 ARG-173, GLY-289 -8.5
Compound 2
06 PHE-13, ALA-99, SER-204, GLY-284, ILE-285, -7.6
Compound 3
01 PHE-13 -7.0
Compound 4
07 ARG-208, VAL-286, GLY-281, ALA-283, GLY-284, ILE-285, -8.6
Compound 9
03 GLY-15, GLY-281, ILE-285 -8.1
Compound 10