GC–MS Profiling and Molecular Docking Analysis of Bioactive Compounds from Ziziphus spina-christi Fruit with Antidiabetic Potential
Ja’afaru Sa’adu
Department of Medical Biochemistry, Abubakar Tafawa Balewa University, Bauchi, Nigeria.
Khadija Aliyu Nuru
Department of Medical Biochemistry, Abubakar Tafawa Balewa University, Bauchi, Nigeria.
Abdulrashid Mohammed *
Department of Medical Biochemistry, Abubakar Tafawa Balewa University, Bauchi, Nigeria.
Usman Mohammed
Department of Medical Biochemistry, Abubakar Tafawa Balewa University, Bauchi, Nigeria.
Aminu Umar Kura
Department of Pharmacology, Sa’adu Zungur University, Bauchi, Nigeria.
Zinat Mohammed Sulaiman
Department of Biochemistry, Sa’adu Zungur University, Bauchi, Nigeria.
Wassagwa John
Department of Medical Biochemistry, Federal University of Health Sciences, Bauchi, Nigeria.
*Author to whom correspondence should be addressed.
Abstract
Diabetes mellitus is a global metabolic disorder characterised by persistent hyperglycaemia and associated complications, necessitating the search for effective plant-based therapeutic agents. This study investigated the phytochemical composition and potential antidiabetic activity of the methanol extract of Ziziphus spina-christi (L.) Desf. fruit using gas chromatography–mass spectrometry (GC–MS) and molecular docking approaches. GC–MS analysis revealed diverse bioactive constituents comprising terpenoids, fatty acids, alcohols, aldehydes, ketones, hydrocarbons, and antioxidant vitamins. Major identified compounds included phytol, oleic acid, linoleic acid, palmitic acid, stearic acid, retinal, β-citronellol, 4-methylcyclopentadecanone, α-farnesene, and tocopherol. Molecular docking analysis against α-amylase and α-glucosidase demonstrated that several phytochemicals exhibited favourable binding affinities with the target enzymes. Retinal showed the strongest binding affinity among the identified compounds, with docking scores of −3.473 kcal/mol against α-amylase and −5.671 kcal/mol against α-glucosidase, while acarbose displayed the highest binding affinities against both enzymes. Other compounds, including β-citronellol, linoleic acid, phytol, and 1-docosene, also showed moderate binding affinities, suggesting possible synergistic contributions to antihyperglycaemic activity. The findings indicate that Z. spina-christi fruit contains bioactive compounds with potential inhibitory activity against carbohydrate-hydrolysing enzymes and antioxidant properties. This study provides molecular evidence supporting the traditional use of Z. spina-christi fruit in diabetes management and highlights its potential as a source of plant-derived antidiabetic agents. Further in vitro and in vivo studies are recommended to validate these findings.
Keywords: Z. spina-christi, diabetes mellitus, GC–MS, molecular docking, α-amylase, α-glucosidase, phytochemicals