In silico evaluation of phenolic compounds as inhibitors of Α-amylase and Α-glucosidase.

Autor: Abdelli I; Higher School of Applied Sciences, Tlemcen, Algeria.; Laboratory of Natural and Bio-Actives Substances, Tlemcen University- Faculty of Science, Tlemcen, Algeria., Benariba N; Antibiotic, Antifungal Laboratory: Physico-chemistry, Synthesis and Biological Activity, Department of Biology, Faculty SNV-STU, Abou Bekr Belkaïd University, Tlemcen, Algeria., Adjdir S; Antibiotic, Antifungal Laboratory: Physico-chemistry, Synthesis and Biological Activity, Department of Biology, Faculty SNV-STU, Abou Bekr Belkaïd University, Tlemcen, Algeria., Fekhikher Z; Antibiotic, Antifungal Laboratory: Physico-chemistry, Synthesis and Biological Activity, Department of Biology, Faculty SNV-STU, Abou Bekr Belkaïd University, Tlemcen, Algeria., Daoud I; Laboratory of Natural and Bio-Actives Substances, Tlemcen University- Faculty of Science, Tlemcen, Algeria.; Department of Matter Sciences, University Mohamed Khider, Biskra, Algeria., Terki M; Antibiotic, Antifungal Laboratory: Physico-chemistry, Synthesis and Biological Activity, Department of Biology, Faculty SNV-STU, Abou Bekr Belkaïd University, Tlemcen, Algeria., Benramdane H; Antibiotic, Antifungal Laboratory: Physico-chemistry, Synthesis and Biological Activity, Department of Biology, Faculty SNV-STU, Abou Bekr Belkaïd University, Tlemcen, Algeria., Ghalem S; Laboratory of Natural and Bio-Actives Substances, Tlemcen University- Faculty of Science, Tlemcen, Algeria.
Jazyk: angličtina
Zdroj: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2021 Feb; Vol. 39 (3), pp. 816-822. Date of Electronic Publication: 2020 Feb 10.
DOI: 10.1080/07391102.2020.1718553
Abstrakt: 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.
Databáze: MEDLINE