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Characterization, inhibitory activity and mechanism of polyphenols from faba bean (gallic-acid and catechin) on α-glucosidase: insights from molecular docking and simulation study.

07:00 EST 8th November 2019 | BioPortfolio

Summary of "Characterization, inhibitory activity and mechanism of polyphenols from faba bean (gallic-acid and catechin) on α-glucosidase: insights from molecular docking and simulation study."

The chemo-profiling of ethanolic extract of faba beans seeds was performed and explored as an α-glucosidase inhibitor. The inhibition of α-glucosidase is one of the alternatives approach to control postprandial hyperglycemia by, resulting in the delay of the carbohydrate digestion of absorbable monosaccharides. Ethanolic seed extract showed phenolic compounds, flavonoid such as gallic acid (/ [M- H] = 169.0124,CHO) ellagic acid derivatives epigallocatechin (/ [M- H = 305.0644,CHO),catechin (/ [M- H] = 289.0656,CHO), epigallocatechin gallate (/ [M- H] = 457.0578,CHO) and epicatechin monogallate (/ [M- H] = 441.081, CHO). The extract was found to exert inhibitory activity (88.28 ± 2.67%) (IC value of 2.30 ± 0.032 mg/mL) with a mixed mode of inhibition (, apparent = 0.54 ± 0.020 mM and , apparent 0.136 ± 0.04 mM/min). Molecular docking studies of gallic acid and catechin on α-glucosidase proposed productive binding modes having binding energy (-6.58 kcal/mol and -7.25 kcal/mol) with an effective number of hydrogen bonds and binding energy. Tyr63, Arg197, Asp198, Glu 233, Asn324, Asp 326 of α-glucosidase participated in binding events with gallic acid and catechin. Molecular dynamics simulation studies were performed for both complexes i.e. gal:α-glucosidase and cat:α-glucosidase along with apo state of α-glucosidase, which revealed stable systems during the simulation. These findings of the present study may give an insight into the further development of the novel antidiabetic drug from the seeds of faba beans.

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This article was published in the following journal.

Name: Preparative biochemistry & biotechnology
ISSN: 1532-2297
Pages: 1-10

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Medical and Biotech [MESH] Definitions

A plant species of the genus VICIA, family FABACEAE. The edible beans are well known but they cause FAVISM in some individuals with GLUCOSEPHOSPHATE DEHYDROGENASE DEFICIENCY. This plant contains vicine, convicine, Vicia lectins, unknown seed protein, AAP2 transport protein, and Vicia faba DNA-binding protein 1.

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A large class of organic compounds having more than one PHENOL group.

The genetic constitution of the individual; the characterization of the genes.

A plant genus of the family FABACEAE that is widely used as ground cover and forage and known for the edible beans, VICIA FABA.

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