
IN SILICO EVALUATION OF ALOE VERA PHYTOCONSTITUENTS FOR DIABETES MANAGEMENT
Background:
Diabetes mellitus is a chronic metabolic disorder marked by elevated blood glucose due to insulin dysfunction. The rising global prevalence necessitates safer and more effective antidiabetic treatments. The disease through the ayurvedic to review the phytochemical constituents of Aloe vera that contribute to its antidiabetic properties.
Material and Methods:
Aloe vera, traditionally recognized for wound healing and anti-inflammatory effects, contains numerous phytochemicals with antidiabetic potential(2). Key constituents like acemannan, emodin, and glycine are of particular interest .An in silico approach was employed to evaluate Aloe vera’s compounds through molecular docking. Four diabetic target proteins—4WQ6, 1V4S, 5KZX, and 1VNF—were selected, and docking was performed using AutoDock Vina(4). Drug-likeness was assessed via Lipinski’s rule, and target predictions were evaluated using bioinformatics tools like SwissADME and SwissTargetPrediction(5).
Results:
Molecular docking showed that glycine (-8.0 kcal/mol), acemannan (-7.7), and chrysophanol (-7.9) had strong binding affinities. All compounds complied with Lipinski’s rules. Target prediction indicated interactions with GLUT4, DPP-4, and PPAR-α, key players in glucose metabolism.
Conclusion:
Aloe vera demonstrates significant potential in diabetes management via inhibition of diabetic targets. This computational evidence supports further pharmacological and clinical exploration of its constituents.
KEYWORDS
Aloe vera, Diabetes, Docking, In silico, Phytochemicals