From: Indole bearing thiadiazole analogs: synthesis, β-glucuronidase inhibition and molecular docking study
No. of compound
Free binding energy (kcal/mol)
H-bonds (HBs)
Number of closest residues to the docked ligand in the active site
IC50 ± SEM
1
− 7.71
7
12.60 ± 0.1
4
− 8.29
2
8
7.1 ± 0.05
6
− 8.59
0.5 ± 0.08