Abstract

STUDY OF COMPUTER-BASED MOLECULAR DOCKING OF AEGLE MARMEOLES LINN (BEAL PLANT) AND MORINGA OLEIFERA IN DRUG DESIGN AND DEVELOPMENT

Shweta Patil, Pratiksha Patil*, Apurva Patil, Shreyas Salunkhe, Umesh Sarwgod and Vikas Redekar

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Abstract

Background: Type 2 diabetes mellitus is a chronic condition characterized by insulin resistance and elevated blood glucose levels. Aegle marmelos (Bael) and Moringa oleifera (Moringa) are medicinal plants known for their antidiabetic properties. However, their bioavailability in raw form is limited, hindering their effectiveness. Polyherbal formulations may improve bioavailability and enhance therapeutic outcomes in diabetes management. Methods: This study aimed to evaluate the antidiabetic potential of Aegle marmelos and Moringa oleifera through molecular docking, antioxidant activity assessment, and α-amylase inhibition. Hydroalcoholic extracts of both plant leaves were prepared and analyzed for their interaction with GSK-3 and GLP-1 enzymes via molecular docking. Antioxidant activity was assessed using the DPPH free radical scavenging assay, and α-amylase inhibition was determined using the 3,5-dinitrosalicylic acid method. Polyherbal tablets were formulated using the extracts by the direct compression method and evaluated for physical properties such as hardness, friability, and disintegration time. Results: Molecular docking revealed strong inhibitory interactions between plant compounds and both GSK-3 and GLP-1, suggesting their potential as natural antidiabetic agents. The antioxidant assays demonstrated significant radical scavenging activity, while the α-amylase inhibition test confirmed the extracts' ability to regulate blood glucose levels. The polyherbal tablets exhibited favourable physical characteristics and showed notable antidiabetic activity. Conclusion: This study highlights the potential of Aegle marmelos and Moringa oleifera as natural inhibitors for managing type 2 diabetes. The polyherbal tablet formulation offers a promising strategy to enhance bioavailability and efficacy, paving the way for further exploration in diabetes treatment.

Keywords: Aegle marmelos, Moringa oleifera, Natural inhibitors, Antioxidant activity, GSK-3, GLP-1, Polyherbal tablet, Type 2 Diabetes.