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

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dc.contributor.authorAkinyede, Kolajo Adedamola
dc.contributor.authorOyewusi, Habeebat Adekilekun
dc.contributor.authorHughes, Gail Denise
dc.contributor.authorEkpo, Okobi Eko
dc.date.accessioned2022-01-17T08:28:06Z
dc.date.available2022-01-17T08:28:06Z
dc.date.issued2021-12
dc.description.abstractDiabetes mellitus (DM) is a chronic metabolic condition that can lead to significant complications 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 demanding; 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 concentrationdependent 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 insulinresistant 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.en_US
dc.identifier.citationAkinyede, K.A.; Oyewusi, H.A.; Hughes, G.D.; Ekpo, O.E.; Oguntibeju, O.O. In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone Helichrysum petiolare Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus. Molecules 2022, 27, 155. https://doi.org/10.3390/ molecules27010155en_US
dc.identifier.urihttps://doi.org/10.3390/ molecules27010155
dc.identifier.urihttp://hdl.handle.net/10566/7097
dc.language.isoenen_US
dc.publisherMDPIen_US
dc.subjectGlucose uptakeen_US
dc.subjectDrug discovery and developmenten_US
dc.subjectα-amylase and α-glucosidase inhibitorsen_US
dc.subjectDiabetes Mellitusen_US
dc.subjectChronic conditionen_US
dc.titleIn vitro evaluation of the anti-diabetic potential of aqueous acetone Helichrysum petiolare extract (AAHPE) with molecular docking relevance in diabetes mellitusen_US
dc.typeArticleen_US

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