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Table 2 Binding affinity scores and energies of GCGR in complex with PIB and CAA.

From: Computational identification of novel natural inhibitors of glucagon receptor for checking type II diabetes mellitus

Compound

Zinc ID

Docking Score

Glide Ligand Efficiency

Glide evdw (kcal/mol)

Glide emodel

Glide energy (kcal/mol)

PIB

ZINC06623951

-9.53

-1.06

-31.69

-52.56

-39.41

CAA

ZINC12864028

-9.47

-0.87

-35.75

-54.20

-38.82

MK-0893

-

-11.03

-0.27

-34.77

-67.70

-46.01

Ly2409021

-

-5.61

-0.27

-24.37

-32.40

-32.24