In vitro evaluation of the anti-diabetic potential of aqueous acetone Helichrysum petiolare extract (AAHPE) with molecular docking relevance in diabetes mellitus

Kolajo Adedamola Akinyede, Habeebat Adekilekun Oyewusi, Gail Denise Hughes, Okobi Eko Ekpo, Oluwafemi Omoniyi Oguntibeju

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18 Scopus citations

Abstract

Diabetes mellitus (DM) is a chronic metabolic condition that can lead to significant com-plications and a high fatality rate worldwide. Efforts are ramping up to find and develop novel α-glucosidase and α-amylase inhibitors that are both effective and potentially safe. Traditional methodologies are being replaced with new techniques that are less complicated and less time de-manding; yet, both the experimental and computational strategies are viable and complementary in drug discovery and development. As a result, this study was conducted to investigate the in vitro anti-diabetic potential of aqueous acetone Helichrysum petiolare and B.L Burtt extract (AAHPE) using a 2-NBDG, 2-(N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl) amino)-2-deoxy-D-glucose uptake assay. In addition, we performed molecular docking of the flavonoid constituents identified and quantified by liquid chromatography-mass spectrometry (LC-MS) from AAHPE with the potential to serve as effective and safe α-amylase and α-glucosidase inhibitors, which are important in drug discovery and development. The results showed that AAHPE is a potential inhibitor of both α-amylase and α-glucosidase, with IC50 values of 46.50 ± 6.17 (µg/mL) and 37.81 ± 5.15 (µg/mL), respectively. This is demonstrated by a significant increase in the glucose uptake activity percentage in a concentration-dependent manner compared to the control, with the highest AAHPE concentration of 75 µg/mL of glucose uptake activity being higher than metformin, a standard anti-diabetic drug, in the insulin-resistant HepG2 cell line. The molecular docking results displayed that the constituents strongly bind α-amylase and α-glucosidase while achieving better binding affinities that ranged from ∆G = −7.2 to −9.6 kcal/mol (compared with acarbose ∆G = −6.1 kcal/mol) for α-amylase, and ∆G = −7.3 to −9.0 kcal/mol (compared with acarbose ∆G = −6.3 kcal/mol) for α-glucosidase. This study revealed the potential use of the H. petiolare plant extract and its phytochemicals, which could be explored to develop potent and safe α-amylase and α-glucosidase inhibitors to treat postprandial glycemic levels in diabetic patients.

Original languageBritish English
Article number155
JournalMolecules
Volume27
Issue number1
DOIs
StatePublished - 1 Jan 2022

Keywords

  • Diabetes mellitus
  • Drug discovery and development
  • Glucose uptake
  • α-amylase and α-glucosidase in-hibitors

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