Docking Studies on Potential Mechanisms for Decreasing Insulin Resistance by the Tangzhiqing Herbal Formula

Table 3

Docking scores of selected natural products with PI3K/AKT pathway.

No.	Compound	PI3K		AKT
		CDOCKER (kcal/mol)	Ligandfit (kcal/mol)	CDOCKER (kcal/mol)	Ligandfit (kcal/mol)
1	3K6/XM1^Δ	51.58	99.99	53.30	111.70
2	Nuciferine	33.65	—	33.47	69.27
3	Rutin	—	—	—	—
4	1-Deoxynojirimycin	27.02	—	40.57	41.87
5	Salvianolic acid A	62.08	95.40	62.30	132.11
6	Salvianolic acid B	88.52	61.04	62.96	137.50
7	Salvianolic acid C	73.10	110.94	68.05	136.21
8	Danshensu	35.79	—	34.51	65.42
9	Rosmarinic acid	45.80	34.49	43.55	109.42
10	Tanshinone IIA	34.06	60.44	33.34	61.32
11	Cryptotanshinone	33.70	59.30	30.48	67.51
12	Dihydrotanshinone I	30.89	65.08	29.57	62.22
13	Quercitrin	56.90	28.51	41.86	82.68
14	Paeoniflorin	—	63.02	51.57	112.15

^ΔInitial ligand; 3K6 for PI3K (4WAF) and XM11 for AKT (3OCB).