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<p>This study aims to evaluate the in vitro antidiabetic properties of hydrolysates derived from European hake <i>(M. merluccius</i>) by-products and to characterize them using molecular docking. These by-products were converted into protein hydrolysates using three different techniques: enzymatic, alkaline, and acid. The in vitro antidiabetic activity was determined using the α-glucosidase enzyme inhibition method. Then, the characterization was performed using FTIR, X-Ray Diffraction, UV-Vis Analysis, and molecular docking. For this purpose, 36 human proteins associated with diabetes are selected to investigate the interactions with the extracted fish protein. The enzymatic hydrolysate of <i>M. merluccius</i> by-products showed the highest inhibition percentage (84.02 ± 0.24%) compared to chemical hydrolysates (71.66 ± 1.11% and 64.56 ± 0.33% for acid and alkaline hydrolysates, respectively). The infrared spectroscopy analysis revealed distinctive peaks for the amide groups (A, B, I, II, III) in the three hydrolysates. The X-ray Diffraction analysis revealed that the enzymatic technique shows a peak at 2θ of 2.08°, corresponding to a d-spacing of 42.44 Å. The UV-Vis spectrum indicates a significant presence of aromatic amino acids. The results revealed strong binding affinities with key therapeutic targets. Especially with SGLT2 (7VSI), GLUT4, GLUT1 (5EQG, 4PYP), AMPK (4CFE), and α-glucosidase (5nn8). It found that the lowest energy value is -1068.0 for the SGLT2 complex, which showed the highest docking score. This suggests a high potential for inhibiting glucose reabsorption. On the other hand, the interaction between GLUT4 and AMPK suggests a potential role in enhancing insulin sensitivity and metabolic regulation. These results suggest that the extracted fish protein exhibits promising antidiabetic properties.</p>

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Investigation of Antidiabetic Properties and Mechanisms of Hake (Merluccius merluccius) By-Products Hydrolysates using Molecular Docking

  • 期刊论文

  • 发表日期：

    2026年7月16日

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  • Hamza Belkhodja,
  • Kadda Argoub,
  • Abderrahmane Remil,
  • Fatima Belkhadem,
  • Djilali Bouhadi,
  • Mohamed El Amine El Goutni

摘要

This study aims to evaluate the in vitro antidiabetic properties of hydrolysates derived from European hake (M. merluccius) by-products and to characterize them using molecular docking. These by-products were converted into protein hydrolysates using three different techniques: enzymatic, alkaline, and acid. The in vitro antidiabetic activity was determined using the α-glucosidase enzyme inhibition method. Then, the characterization was performed using FTIR, X-Ray Diffraction, UV-Vis Analysis, and molecular docking. For this purpose, 36 human proteins associated with diabetes are selected to investigate the interactions with the extracted fish protein. The enzymatic hydrolysate of M. merluccius by-products showed the highest inhibition percentage (84.02 ± 0.24%) compared to chemical hydrolysates (71.66 ± 1.11% and 64.56 ± 0.33% for acid and alkaline hydrolysates, respectively). The infrared spectroscopy analysis revealed distinctive peaks for the amide groups (A, B, I, II, III) in the three hydrolysates. The X-ray Diffraction analysis revealed that the enzymatic technique shows a peak at 2θ of 2.08°, corresponding to a d-spacing of 42.44 Å. The UV-Vis spectrum indicates a significant presence of aromatic amino acids. The results revealed strong binding affinities with key therapeutic targets. Especially with SGLT2 (7VSI), GLUT4, GLUT1 (5EQG, 4PYP), AMPK (4CFE), and α-glucosidase (5nn8). It found that the lowest energy value is -1068.0 for the SGLT2 complex, which showed the highest docking score. This suggests a high potential for inhibiting glucose reabsorption. On the other hand, the interaction between GLUT4 and AMPK suggests a potential role in enhancing insulin sensitivity and metabolic regulation. These results suggest that the extracted fish protein exhibits promising antidiabetic properties.