Table 3.

In silico studies of berberine and its interactions.

Protein Targets	Binding Energy (kcal/mol)	Interactions	References
PI3K Akt GSK-3β Keap-1	−5.8 −8.3 −7.6 −8.6	Gln8, Lys42 Lys179 Lys183 Val97, Ile236	[56]
Akt	−7.83	Arg4, Thr291, Val164, Met281, Ala177, Leu156, Met227, Asp292	[55]
PPARG	−8.4	Ile281, Arg288, Ile341	[57]
FOXO3 FOXO4 IKK-β	−8.9 −9.0 −7.7	*n/i *n/i *n/i	[58]
α-glucosidase DPP-IV Insulin receptor (IR)	−7.9 −8.9 −6.3	Asp568, Tyr709 Tyr547, Gln553, Ser630 Gln1004	[59]
TNF-α IL-6	−6.24 −4.94	Lys65, Phe144 Asn135	[60]

PI3K, phosphoinositide 3-kinase; Akt, protein kinase B; GSK-3β, glycogen synthase kinase 3 beta; Keap-1, Kelch-like ECH-associated protein 1; PPARG, peroxisome proliferator-activated receptor gamma; FOXO3, forkhead box O3; FOXO4, forkhead box O4; IKKβ, IκB kinase beta; DPP-IV, dipeptidyl peptidase-IV; IR, insulin receptor; TNF-α, tumor necrosis factor alpha; IL-6, interleukin 6. *n/i: no information.