Unveiling the Promise of Bioactive Alkaloid Compound from Catharanthus Roseys: An In-vitro Computational Exploration of their Molecular Docking against a Target Protein for Type-2 Diabetes

Abstract

Introduction: Molecular docking facilitates the exploration of interactions between bioactive alkaloid compounds and target proteins, offering insights into potential binding modes and affinity, crucial for drug discovery and understanding molecular mechanisms. Catharanthus roseus (C. roseus), renowned for its bioactive alkaloid compounds, emerges as a promising candidate for novel agents in diabetes management. Aim: To study the computational methods, including in-silico molecular docking, to elucidate the interactions between bioactive alkaloids from C. roseus and a Type-2 diabetic target protein. Materials and Methods: In this in-vitro study conducted in 2022 at the Department of Research, Chettinad Hospital and Research Institute, Chettinad Academy of Research and Education, Tamil Nadu, India. The research took place from July to October 2022. Computational techniques, particularly in-silico molecular docking, were utilised to analyse the binding affinities and potential mechanisms of action of bioactive alkaloids from C. roseus against a target protein associated with Type-2 diabetes. The study employed established computational protocols and software tools to predict and evaluate the binding interactions between the alkaloids and the target protein. Results: The analysis suggests Vinblastine, Ajmalicine, and Vindolinine from C. roseus as potential diabetes therapeutics. Vinblastine binds strongly to Human Pancreatic Alpha-Amylase (HPA), hinting at glucose metabolism regulation. Ajmalicine and Vindolinine also interact significantly with HPA, implying antidiabetic potential. Additionally, the present study findings suggest a potential role of Reserpine in modulating HPA activity and supporting its antihypertensive effects. Conclusion: In conclusion, the analysis highlights the potential of C. roseus compounds like Vinblastine, Ajmalicine, and Vindolinine in managing diabetes by interacting with HPA, indicating their potential as antidiabetic agents. Additionally, Reserpine’s effect on HPA activity suggests a role in hypertension management. These findings emphasise the therapeutic potential of natural compounds from C. roseus for diabetes and related conditions, warranting further clinical investigation.

Keywords

• antidiabetic agent
• human pancreatic alpha-amylase
• hypertension management