Harnessing Science, Technology, and Innovation to Combat Diabetes and Alleviate Poverty: An In Silico Approach to Natural Alpha-Amylase Inhibitors
Keywords:
Alpha-Amylase Inhibitors, Diabetes Mellitus, In Silico Docking, Molecular Docking, Pterocarpus Santalinus, TrimetrexateAbstract
Diabetes mellitus is a chronic metabolic disorder marked by hyperglycemia due to impaired insulin secretion or action, often leading to serious complications such as organ damage.While modern drugs like sulfonylureas and biguanides are widely used, they frequently cause adverse effects, prompting interest in safer, plant-based alternatives. α-Amylase inhibitors from medicinal plants are particularly important, as they can reduce glucose absorption. Computational chemistry, especially molecular docking, provides a cost-effective and efficient approach to drug discovery by predicting protein–ligand interactions, binding affinity, and inhibitory potential. In this study, phytochemicals from Pterocarpus santalinus, particularly Trimetrexate, were evaluated using molecular docking. Docking with human pancreatic α-amylase (PDB: 3OLD) and DPP-IV (PDB: 5Y7H) revealed that Trimetrexate showed strong binding affinities (–10.58 kcal/mol and –9.45 kcal/mol, respectively), surpassing standard drugs like Glibenclamide and Acarbose. SwissADME analysis confirmed favorable drug-like properties, including solubility, bioavailability, and absorption. These results suggest that Pterocarpus santalinus could be a valuable source for developing safer, low-cost therapies against Type 2 Diabetes Mellitus. The integration of science, technology, and innovation (STI) is crucial in tackling such health challenges. Computational tools like molecular docking accelerate drug discovery and reduce costs, making therapies more affordable. By combining medicinal plants and modern technology, accessible treatments can be developed to benefit low-income populations disproportionately affected by diabetes. Thus, the fusion of scientific research, technological innovation, and traditional knowledge can improve healthcare and contribute to poverty alleviation, supporting sustainable development goals.
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