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Dipeptidyl peptidase-IV inhibitory activity of millet protein peptides and the related mechanisms revealed by molecular docking

Autor

 

Gu, H., Gao, J., Shen, Q., Gao, D., Wang, Q., Tangyu, M., & Mao, X

 

Abstract

 

Dipeptidyl peptidase-IV (DPP-IV) inhibitory peptides released from foods are promising agents to combat type 2 diabetes. Millet protein supplementation can effectively ameliorate type 2 diabetes. Therefore, the objective of the study was to identify DPP-IV inhibitory peptides from millet protein and reveal the potential mechanisms. The results showed that millet protein hydrolysates (MPH) significantly inhibited DPP-IV activity compared with original millet protein (p < 0.05). MPH obtained at 3 h hydrolysis exhibited the highest DPP-IV inhibition rate (75.72 ± 1.11%). Two novel DPP-IV inhibitory peptides, Asn-Asp-Trp-His-Thr-Gly-Pro-Leu-Ser and Thr-Tyr-Pro- His-Gln-Gln-Pro-Pro-Ile-Leu-Thr, were characterized by liquid-chromatography-electrospray-ionization-tandem-mass-spectrometry. Both peptides displayed no allergenicity, hepatotoxicity and P4502D6-enzyme inhibition by in silico analysis. Further molecular docking revealed that both peptides could occupy the active center (S1, S2 subsite) of DPP-IV via H-bond and π-π. Together, these findings suggest that millet protein-derived peptides are promising in the intervention of type 2 diabetes via inactivating DPP-IV.

 

Resumen del artículo

 

El objetivo de este estudio fue identificar los posibles péptidos inhibidores de DPP-IV liberados de la proteína de mijo y revelar los posibles mecanismos para combatir la diabetes tipo 2. Se identificaron los péptidos presentes en la fracción bioactiva por espectrometría de masas y se realizaron estudios in silico y docking con la DPP-IV para determinar su unión al sitio activo de la molécula. El estudio reveló que los péptidos liberados de la proteína de mijo eran prometedores en la intervención de la diabetes tipo 2 mediante la inactivación de la DPP-IV.

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