Reguia Mahfoudi, Amar Djeridane*, Djilali Tahri and Mohamed Yousfi Pages 1 - 11 ( 11 )
Background: Inhibition of α-amylase and α-glucosidase is considered as an important therapeutic target to manage type 2 diabetes mellitus (T2DM), reducing postprandial hyperglycemia (PPHG).
Objective: The present work explored the antidiabetic activities of five artificial food colorings by α- amylase and α-glucosidase enzyme inhibition in vitro and in Silico.
Methods: In this study, inhibition of α-amylase and α-glucosidase was evaluated. Further, the interaction between enzymes (α-amylase and α-glucosidase) and ligands (food colorings) was followed by QSAR and molecular docking studies.
Results: The in vitro results obtained show that the blue patent (SIN131) exhibited more potent inhibition with IC50 values of 0.03± 0.01 mM and 0.014±0.001 mM against α-amylase and α-glucosidase inhibition respectively compared to acarbose. The QSAR study found a strong correlation between IC50 values with four molecular descriptors. This linear regression confirms that a strong polarity (Apol) and low hydrophobia (ALogP) favor the inhibitory effect of these colorings toward both enzymes. Also, a negative role of the number of heavy atoms has been demonstrated in the phenomenon of inhibition of this enzyme. Finally, the descriptor εlumo (electronic affinity) plays a crucial role on the inhibitory power of these dyes toward both enzymes by electron transfer. The virtual screening of the inhibition of α-amylase and α-glucosidase by these colorings, using Molegro Virtual Docker (MVD), allowed us to obtain stable complexes with interaction energies resulting from the place of hydrogen bonds and several hydrophobic interactions. However, the sulfonate groups of these colorings can be the major factors in the inhibition of these enzymes. On the other hand, Rerank Score with the pose are perfectly correlated (R2> 0.76) to the inhibitory activity of these food colorings measured experimentally.
Conclusion: The present study suggests that the Blue Patent V (SIN131) effectively acts as α-amylase and α-glucosidase inhibitor leading to a reduction in starch hydrolysis and eventually to lower glucose levels.
α-amylase, α-glucosidase, diabetes, food colorings, docking, QSAR.
Laboratoire des Sciences Fondamentales, B.P. 37G, 03000. Université Amar TELIDJI – Laghouat , Laboratoire des Sciences Fondamentales, B.P. 37G, 03000. Université Amar TELIDJI – Laghouat , Laboratoire des Sciences Fondamentales, B.P. 37G, 03000. Université Amar TELIDJI – Laghouat , Laboratoire des Sciences Fondamentales, B.P. 37G, 03000. Université Amar TELIDJI – Laghouat