Table 8.

The scores calculated by different docking methodologies used in the present study with their rescoring values calculated by MMGBSA method.

C	PDB ID: 3AOI
	D.S. (XP) kcal/mol	D.S. (SP) kcal/mol	D.S. (HTVS) kcal/mol	dG bind kcal/mol
18g	−11.172	−10.443	−10.65	−81.31
13b1	−10.242	−9.519	−7.85	−74.62
19e	−11.07	−11.73	−6.38	−83.57
19a	−10.77	−11.47	−9.26	−80.57
16b	−9.21	−11.36	−10.78	−84.33
16a	−9.26	−11.30	−11.47	−81.96
15b	−9.05	−11.09	−9.24	−89.31
ARRY-403	−10.259	−10.101	−9.26	−72.62
RO-5305552	−6.707	−9.074	−7.75	−39.15
Piragliatin	−8.345	−8.144	−7.24	−39.35
Glucokinase activator 1	−3.36	−5.782	−8.37	−0.96
ZINC08974524	−8.43	−11.17	−10.26	−19.55
ZINC00656909	−8.715	−10.887	−8.62	−56.96
ZINC31812808	−8.40	−8.223	−9.37	−76.4
ZINC14791611	−8.294	−10.879	−8.28	−29.58
ZINC05204145	−7.984	−7.323	−8.32	−53.31
ZINC01114130	−7.854	−10.21	−9.65	−37.62
ZINC09712705	−7.764	−8.962	−9.78	−47.96
ZINC14462664	−7.65	−10.997	−7.47	−75.4
ZINC02474054	−6.186	−4.208	−6.25	−8158

D.S.: Docking score; XP: Extra precision; SP: Standard precision; HTVS: High-throughput virtual screening.