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Research Articles

In vitro and in silico inhibitory validation of Tapinanthus cordifolius leaf extract on alpha-glucosidase in the management of type 2 diabetes

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Pages 2512-2524 | Received 30 Nov 2022, Accepted 16 Apr 2023, Published online: 09 Jun 2023
 

Abstract

The anti-diabetic properties of medicinal plants are becoming more widely recognized. To identify potential anti-diabetic agents for diabetes drug discovery, the current study used in vitro and in silico approaches to assess the alpha glucosidase inhibitory activities of Tapinanthus cordifolius (TC) leaf extracts and its bioactive components respectively. In vitro alpha glucosidase inhibitory assay was carried out on TC extract and fractions at various concentrations (50–1600 µg/mL), and the compounds with alpha glucosidase inhibitory potentials were identified using molecular docking, pharmacophore modelling, and molecular dynamics simulation. The crude extract exhibited the highest activity with an IC50 value of 248 μg/mL. Out of the 42 phytocompounds of the extract, α-Tocopherol-β-d-mannoside gave the lowest binding energy of −6.20 Kcal/mol followed by, 5-Ergosterol (−5.46 kcal/mol), Acetosyringone (−4.76 kcal/mol), and Benzaldehyde, 4-(Ethylthio)-2,5-Dimethoxy-(−4.67 kcal/mol). The selected compounds interacted with critical active site amino acid residues of alpha-glucosidase, just like the reference ligand. Molecular dynamics simulation revealed the formation of a stable complex between α-glucosidase and α-Tocopherol-β-d-mannoside, with ASP 564 sustaining two hydrogen bond connections for 99.9 and 75.0% of the simulation duration, respectively. Therefore, the selected TC compounds, especially α-Tocopherol-β-d-mannoside might be explored for future research and development as diabetic medicines.

Communicated by Ramaswamy H. Sarma

Acknowledgments

The authors acknowledge Covenant University, Ota, Nigeria, for providing the laboratory equipment for the realization of this research.

Disclosure Statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

The authors are grateful for the financial support of the Covenant University Centre for Research and Development (CUCRID).

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