Comprehensive in vitro and in silico analysis of Piliostigma thonningii's bioactive compounds as multifunctional inhibitors of α-amylase, α-glucosidase, and oxidative stress for enhanced glycemic regulation - 2025
Comprehensive in vitro and in silico analysis of Piliostigma thonningii's bioactive compounds as multifunctional inhibitors of α-amylase, α-glucosidase, and oxidative stress for enhanced glycemic regulation
[en] Type 2 diabetes mellitus is a growing global health crisis requiring effective management strategies, including the control of postprandial hyperglycemia. Inhibiting key carbohydrate-digesting enzymes, namely α-amylase and α-glucosidase, is a proven therapeutic approach. However, many current inhibitors have undesirable side effects. This study examines the anti-diabetic and antioxidant potential of bioactive compounds isolated from Piliostigma thonningii, a plant with a history of traditional use in treating diabetes, employing both in vitro and in silico approaches. A multifaceted approach was employed to elucidate the chemical profile and bioactive potential of the P. thonningii methanolic extract. This approach combined chromatographic separation, spectroscopic characterization, and in vitro antioxidant (DPPH, ABTS, HRSA, and FRAP assays) and anti-diabetic evaluations. Molecular docking and dynamics simulations were employed to predict the binding affinities and stabilities of isolated compounds with α-amylase and α-glucosidase. The methanolic extract exhibited notable antioxidant activity, comparable to that of the synthetic antioxidant BHT. The highest DPPH anti-radical activity was exhibited by kaempferol 3-O-α-L-rhamnopyranosyl-(1−2)-β-D-galactopyranoside (10) (IC50 = 172.45 µg/mL, 69.48 % inhibition). In addition, the methanol (MeOH) extract demonstrated potent anti-diabetic activity in vitro, exhibiting the lowest IC50 values for both α-amylase (184.45 µg/mL) and α-glucosidase (175.61 µg/mL) inhibition. Among the isolated compounds, genkwanin (5) displayed promising inhibitory activity against both enzymes (α-amylase IC50: 180.95 µg/mL, α-glucosidase IC₅₀: 174.95 µg/mL), while epicatechin (4) and shikimic acid (2) showed notable and moderate α-glucosidase inhibitory activities, respectively (epicatechin IC₅₀: 201.51 µg/mL, shikimic acid IC₅₀: 196.25 µg/mL). Vitexin (6) and genkwanin (5) were identified as the most potent α-amylase and α-glucosidase inhibitors in silico, with binding affinities of −8.6 kcal/mol and −8.5 kcal/mol, respectively. This study identifies compounds derived from P. thonningii, particularly vitexin (6) and genkwanin (5), as promising natural inhibitors of α-amylase and α-glucosidase. The findings indicate that the plant may serve as a valuable source of antioxidants and anti-diabetic compounds, thereby supporting its traditional medicinal applications and suggesting a pathway for the development of new, natural-based therapies for type 2 diabetes.
Disciplines :
Chemistry
Author, co-author :
Sisinvou, Alfred; Department of Chemistry, Faculty of Science, University of Maroua, Maroua, Cameroon
Wangso, Honoré; Department of Chemistry, Faculty of Science, University of Maroua, Maroua, Cameroon ; Department of Chemistry, Faculty of Science, University of Garoua, Garoua, Cameroon
Mamoudou, Hamadou ; Department of Biological Sciences, Biochemistry, Bioinformatics, Bioactive Compounds for Health Promotion, Research Unit, Faculty of Science, University of Maroua, Maroua, Cameroon
Mouhamadou, Sali; Department of Chemistry, Faculty of Science, University of Maroua, Maroua, Cameroon ; Department of Chemistry, Faculty of Science, University of Garoua, Garoua, Cameroon
Koubala, Benoît Bargui; Department of Chemistry, Faculty of Science, University of Maroua, Maroua, Cameroon
AlAjmi, Mohamed F.; Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia
Henoumont, Céline ; Université de Mons - UMONS > Faculté de Médecine et de Pharmacie > Service de Chimie générale, organique et biomédicale
Laurent, Sophie ; Université de Mons - UMONS > Faculté de Médecine et de Pharmacie > Service de Chimie générale, organique et biomédicale
Agrawal, Mohit; School of Medical & Allied Sciences, K.R. Mangalam University, Gurugram, India
Talla, Emmanuel; Department of Chemistry, Faculty of Science, University of Ngaoundere, P.O. Box 445, Ngaoundere, Cameroon
Language :
English
Title :
Comprehensive in vitro and in silico analysis of Piliostigma thonningii's bioactive compounds as multifunctional inhibitors of α-amylase, α-glucosidase, and oxidative stress for enhanced glycemic regulation
R550 - Institut des Sciences et Technologies de la Santé R100 - Institut des Biosciences
Funders :
King Saud University
Funding text :
The authors are indebted to the Department of General, Organic Chemistry and Biomedical, Laboratory of NMR and molecular Imaging of the University of Mons, Belgium. The authors gratefully acknowledge the technical support and resources provided by the Laboratory of Biochemistry and Biological Chemistry of the University of Maroua, Cameroon. Additionally, Prof. Mohamed F AlAjmi wishes to express his appreciation for the financial support received from the Researchers Supporting Project (RSP 2025R122), King Saud University, Riyadh, Saudi Arabia.
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