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.
journal_name
J Biomol Struct Dynjournal_title
Journal of biomolecular structure & dynamicsauthors
Abdelli I,Benariba N,Adjdir S,Fekhikher Z,Daoud I,Terki M,Benramdane H,Ghalem Sdoi
10.1080/07391102.2020.1718553subject
Has Abstractpub_date
2020-02-10 00:00:00pages
1-7eissn
0739-1102issn
1538-0254pub_type
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