In silico evaluation of phenolic compounds as inhibitors of Α-amylase and Α-glucosidase
Imane Abdelli, Nabila Benariba, Sara Adjdir, Zohra Fekhikher, Ismail Daoud, Mohammed Terki, Hanane Benramdane, Saïd Ghalem
Abstract
The aim of the present study focuses on the molecular docking approach to screen alternative drug that can regulate the hyperglycemia by down-regulating α-glucosidase and α-amylase activity using phenolic compounds: tannic acid (L1), catechin (L2), gallic acid (L3), quercetin (L5) and epicatechin (L6). L1 gives the best docking scores, its interaction with α-amylase and α-glucosidase has the lowest energy score compared to the other complexes and to the acarbose (L4). L1 forms strong five H-donor interactions with residues of active site of α-amylase and three H-donor interactions with α-glucosidase. The in silico evaluation of the unfavorable absorption, distribution, metabolism, and elimination (ADME) properties and drug-likeness revealed that L5 has high absorption compared to tannic acid and to the other compounds. This study revealed for the first time that tannic acid is a functional inhibitor of α-glucosidase and α-amylase activities and can be used as alternative for the regulation of post-prandial hyperglycaemia.Communicated by Ramaswamy Sarma