In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus
Diabetes 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 b...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-12-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/1/155 |
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| author | Kolajo Adedamola Akinyede Habeebat Adekilekun Oyewusi Gail Denise Hughes Okobi Eko Ekpo Oluwafemi Omoniyi Oguntibeju |
| author_facet | Kolajo Adedamola Akinyede Habeebat Adekilekun Oyewusi Gail Denise Hughes Okobi Eko Ekpo Oluwafemi Omoniyi Oguntibeju |
| author_sort | Kolajo Adedamola Akinyede |
| collection | DOAJ |
| description | Diabetes 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 <i>Helichrysum petiolare</i> and B.L Burtt extract (AAHPE) using a 2-NBDG, 2-(<i>N</i>-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl) amino)-2-deoxy-<span style="font-variant: small-caps;">d</span>-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 IC<sub>50</sub> 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 ΔG = −7.2 to −9.6 kcal/mol (compared with acarbose ΔG = −6.1 kcal/mol) for α-amylase, and ΔG = −7.3 to −9.0 kcal/mol (compared with acarbose ΔG = −6.3 kcal/mol) for α-glucosidase. This study revealed the potential use of the <i>H. petiolare</i> 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. |
| first_indexed | 2024-03-10T03:30:45Z |
| format | Article |
| id | doaj.art-4e51adb9727e4d3c99ad266cdcfe5f75 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T03:30:45Z |
| publishDate | 2021-12-01 |
| publisher | MDPI AG |
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| series | Molecules |
| spelling | doaj.art-4e51adb9727e4d3c99ad266cdcfe5f752023-11-23T11:57:31ZengMDPI AGMolecules1420-30492021-12-0127115510.3390/molecules27010155In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes MellitusKolajo Adedamola Akinyede0Habeebat Adekilekun Oyewusi1Gail Denise Hughes2Okobi Eko Ekpo3Oluwafemi Omoniyi Oguntibeju4Department of Medical Bioscience, University of the Western Cape, Bellville, Cape Town 7530, South AfricaBiochemistry Unit, Department of Science Technology, The Federal Polytechnic P.M.B.5351, Ado Ekiti 360231, Ekiti State, NigeriaDepartment of Medical Bioscience, University of the Western Cape, Bellville, Cape Town 7530, South AfricaDepartment of Medical Bioscience, University of the Western Cape, Bellville, Cape Town 7530, South AfricaPhytomedicine and Phytochemistry Group, Oxidative Stress Research Centre, Department of Biomedical Sciences, Faculty of Health and Wellness Sciences, Cape Peninsula University of Technology, P.O. Box 1906, Bellville 7535, South AfricaDiabetes 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 <i>Helichrysum petiolare</i> and B.L Burtt extract (AAHPE) using a 2-NBDG, 2-(<i>N</i>-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl) amino)-2-deoxy-<span style="font-variant: small-caps;">d</span>-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 IC<sub>50</sub> 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 ΔG = −7.2 to −9.6 kcal/mol (compared with acarbose ΔG = −6.1 kcal/mol) for α-amylase, and ΔG = −7.3 to −9.0 kcal/mol (compared with acarbose ΔG = −6.3 kcal/mol) for α-glucosidase. This study revealed the potential use of the <i>H. petiolare</i> 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.https://www.mdpi.com/1420-3049/27/1/155glucose uptakedrug discovery and developmentα-amylase and α-glucosidase inhibitorsdiabetes mellitus |
| spellingShingle | Kolajo Adedamola Akinyede Habeebat Adekilekun Oyewusi Gail Denise Hughes Okobi Eko Ekpo Oluwafemi Omoniyi Oguntibeju In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus Molecules glucose uptake drug discovery and development α-amylase and α-glucosidase inhibitors diabetes mellitus |
| title | In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus |
| title_full | In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus |
| title_fullStr | In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus |
| title_full_unstemmed | In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus |
| title_short | In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone <i>Helichrysum petiolare</i> Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus |
| title_sort | in vitro evaluation of the anti diabetic potential of aqueous acetone i helichrysum petiolare i extract aahpe with molecular docking relevance in diabetes mellitus |
| topic | glucose uptake drug discovery and development α-amylase and α-glucosidase inhibitors diabetes mellitus |
| url | https://www.mdpi.com/1420-3049/27/1/155 |
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