TY - JOUR
T1 - In vitro evaluation of the anti-diabetic potential of aqueous acetone Helichrysum petiolare extract (AAHPE) with molecular docking relevance in diabetes mellitus
AU - Akinyede, Kolajo Adedamola
AU - Oyewusi, Habeebat Adekilekun
AU - Hughes, Gail Denise
AU - Ekpo, Okobi Eko
AU - Oguntibeju, Oluwafemi Omoniyi
N1 - Funding Information:
Funding: The financial assistance from Cape Peninsula University of Technology, RJ23, granted to Professor Oluwafemi Omoniyi Oguntibeju is acknowledged in this research.
Publisher Copyright:
© 2021 by the authors. Licensee MDPI, Basel, Switzerland.
PY - 2022/1/1
Y1 - 2022/1/1
N2 - 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.
AB - 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.
KW - Diabetes mellitus
KW - Drug discovery and development
KW - Glucose uptake
KW - α-amylase and α-glucosidase in-hibitors
UR - http://www.scopus.com/inward/record.url?scp=85122007031&partnerID=8YFLogxK
U2 - 10.3390/molecules27010155
DO - 10.3390/molecules27010155
M3 - Article
C2 - 35011387
AN - SCOPUS:85122007031
SN - 1420-3049
VL - 27
JO - Molecules
JF - Molecules
IS - 1
M1 - 155
ER -
