In Silico Molecular Docking of Active Peptides from Tilapia (Oreochromis Niloticus) Skin Collagen with enzyme involved in Type-2 diabetes mellitus
Heli Siti Halimatul Munawaroh1*, Gun Gun Gumilar1, Jerlita Dea Berliana1, Siti Aisyah1, Andriati Ningrum2, Eko Susanto3

Universitas Pendidikan Indonesia

Abstract

This study aims to evaluate the potential of active peptides from tilapia skin collagen (Oreochromis niloticus) as a candidate for type-2 antidiabetic based on molecular docking. Active peptides were obtained through in silico enzymatic hydrolysis of collagen using BIOPEP. The potency of target compounds was compared with acarbose, linagliptin, and polydatin. In silico collagen hydrolysis generates thirteen (13) active peptides that were non-toxic, non-allergenic, bitter-taste, salty, and undetectable-taste. All active peptides interact with α-amylase, α-glucosidase, DPP-IV, and G6PD through hydrogen bonds, van der Waals, hydrophobic, electrostatic, pi-sulfur, and unfavorable interactions. The binding affinity of WF, WY, and VW peptides with α-amylase were 1.7- 1.6- and 0.8 kcal/mole higher than those of acarbose. The α-glucosidase complex with WF, WY, VW, AF, SF, TF, VF, WG, PPG, RM, PG, PM, and MG was higher than that of acarbose with energy differences of 2.7- 2.6- 2.2- 2.1- 2- 1.9- 1.8- 1.8- 1.7- 1,2- 1- 0.8- and 0.2 kcal/mole, respectively. All active peptides inhibit the two of enzymes competitively. All in all, it can be concluded that the active peptides from tilapia skin collagen have the potential to be used as antidiabetic type-2 candidates.

Keywords: active peptides, antidiabetic, inhibitor, nile tilapia, molecular docking

Topic: Chemistry