In silico and in vitro evaluation of nano-enhanced therapeutics for diabetes management.
SIL, Moumita; DEB, Debanik; DALUI, Shauryabrota; CHAKRABORTY, Subhajit; GOSWAMI, Arunava; POLIKARPOV, Igor.
SIL, Moumita; DEB, Debanik; DALUI, Shauryabrota; CHAKRABORTY, Subhajit; GOSWAMI, Arunava; POLIKARPOV, Igor.
Abstract: Diabetesmellitus remains amajor global health challenge, necessitating safer andmore effective therapeutic strategies. Nanotechnology enhances the bioactivity of phytochemicals, offering a novel approach to diabetes management. This study synthesized eco-friendly silver nanoparticles (AgNPs) using phytochemicals from homeopathic mother tinctures (Strychnos nux-vomica, Arnica montana, and Atropa belladonna) and Ayurvedic powders (Withania somnifera, Emblica officinalis, and Terminalia chebula). Characterization via dynamic light scattering (DLS) and electron microscopy field emission scanning electron microscopy, field emission gun transmission electron microscopy confirmed the formation of uniformly spherical AgNPs (10-30 nm), ensuring stability and dispersion. Molecular docking studies assessed the binding affinity of silver atoms with a-amylase and a-glucosidase, revealing inhibition via metal chelation. While atomic silver exhibited weak inhibition, AgNPs demonstrated significantly enhanced suppression of enzymatic activity due to their multivalent interactions. Among the formulations, Emblica officinalis-derived AgNPs exhibited the most potent inhibition, with IC50 values of 17.5 µg/ml (a-amylase) and 12.87 µg/ml (a-glucosidase), surpassing acarbose. Their efficacy was further linked to oxidative stress induction, influencing glucose metabolism and enzyme inhibition. The cytotoxicity of E. officinalis-derived AgNPs was assessed using the MTT assay on MDA-MB-231 cells. A concentration-dependent cellular response indicated active nanoparticle uptake, suggesting interactions with intracellular signaling pathways.The biointeractive potential of these nanoparticles further supports their role as therapeutic agents. This study highlights the potential of phytoche sustainable therapeutic approach. Further research into pharmacokinetics, in vivo efficacy, and mechanistic pathways will be crucial for clinical translation.
@article={003252629,author = {SIL, Moumita; DEB, Debanik; DALUI, Shauryabrota; CHAKRABORTY, Subhajit; GOSWAMI, Arunava; POLIKARPOV, Igor.},title={In silico and in vitro evaluation of nano-enhanced therapeutics for diabetes management},journal={Journal of Applied Pharmaceutical Science},note={v. 15, n. 7, p. 169-178},year={2025}}