Goat milk peptides—a potential nutraceutic to address type 2 diabetes mellitus

The present study was undertaken to scientifically validate the antidiabetic potential of goat milk-derived bioactive peptides through an in silico assessment of their binding affinity with glucose metabolising and transporting enzymes and peptides. Four targets were selected: α-amylase and α-glucosidase, 5′-adenosine monophosphate-activated protein kinase (AMPK), and DPP4. These targets were docked with known goat milk peptides in silico using ClusPro and then analysed using UCSF ChimeraX software v.1.16. Milk peptides aLA3, aLA4, bc6, bLG1, bLG2, kas3, and kcas5 showed excellent binding statistics, including the least binding energy along with hydrogen bond interactions, for all four targets. The binding of AM and AMC was quite similar, as expected considering the major role of the N-terminal domain. The peptides were bound in the cavity of AMPK formed by the N-terminal as the roof and the C-terminal as the floor, principally involving GLU100, ASP215, and GLU217, with the polar and acidic amino acids having a major share in the interaction. In the case of DPP4, the ligands bound to one of either of the chains of the dimer with a variation in the binding site amongst the two chains. The availability of additive goat milk peptides acting concomitantly at synergistic receptor sites can certainly ensure the optimal maintenance of the glucose level in diabetic patients with no side effects. Tapping goat milk peptides as readymade, available nutraceuticals may address a delay in the progress of DM or even reverse it in the early stages.