Docking-Based Experimental Approach Examining the Effectiveness of Nano-formulations as Diabetes Therapeutics

Diabetes mellitus is a chronic, metabolic disorder that needs to be addressed globally. Diabetes aids in the onset of several associated disorders, including neuropathy, nephropathy, cardiomyopathy, pulmonary arterial disease, etc. Patients develop a reliance on regular medication or insulin dosage, which triggers these related issues. A theoretical validation using computational docking study-based prediction utilizing phyto-based nutraceuticals offers an edge over conventional treatment methods in preventing such situations. The present study explores the potential benefits of plant-based compounds as replacements or alternatives to synthetic pharmaceuticals to improve therapeutic effectiveness while minimizing side effects. Further, to minimize the problems of solubility and dose of phytocompound during internalization, nanotechnology-based drug delivery was explored. Pelargonidin, a phyto-based nutraceutical belonging to the anthocyanidin group known for its therapeutic properties when encapsulated in a biodegradable poly-lactide-co-glycolic acid (PLGA) polymer, demonstrated increased activity, exceeding that of its non-encapsulated equivalents. Studies using AFM, TEM, and DLS were conducted to determine its physicochemical properties. Therefore, nano-mediated delivery of drugs could improve the solubility, dissolution, retention, and stability of drugs, thereby extending their pharmacological effect. Hence, computational molecular docking studies of drug-protein interactions emerge as a new field aimed at selecting molecules that act to modulate biotargets, thereby establishing the concept of drug delivery with “target specificity” for combating a variety of diseases including diabetes and its complications.