Characterization and Molecular Docking Analysis of Chitosan Nanoparticles Loaded with Ocimum africanum Lour. for the Management of Hyperglycaemia-Associated Testicular Inflammation

Hyperglycaemia-induced oxidative stress and inflammation contribute to testicular dysfunction in diabetes mellitus, largely mediated through NF-κB activation and SIRT1 dysregulation. Ocimum africanum Lour. contains bioactive flavonoids with therapeutic potential; however, their limited stability necessitates improved delivery systems. This study aimed to formulate and characterize Ocimum africanum extract-loaded chitosan nanoparticles (OE-CNP) and evaluate their potential interactions with NF-κB and SIRT1, employing molecular docking, as a preliminary approach to predict their benefits for male reproductive function under hyperglycemic conditions. Ionic gelation was employed to synthesize OE-CNPs using chitosan and tripolyphosphate. Physicochemical properties were assessed using dynamic light scattering and scanning electron microscopy. Liquid chromatography–high-resolution mass spectrometry was employed to identify major flavonoids. Molecular docking was performed against NF-κB (PDB: 3DO7) and SIRT1 (PDB: 4I5I) using AutoDock Vina. OE-CNPs showed a hydrodynamic size of 159.2 ± 6.8 nm, a polydispersity index of 0.33, and zeta potential of 27.59 ± 0.2 mV, indicating stable, monodisperse nanoparticles. A well-dispersed, elliptical morphology was revealed by the SEM, indicating nanoscale particles with a relatively uniform distribution and good colloidal stability. Molecular docking predicted that the chitosan–tripolyphosphate–rutin (Chi-TP-rutin) complex had the strongest binding affinity toward both NF-κB (−8.5 kcal/mol) and SIRT1 (−10.0 kcal/mol) among all the tested ligands. These findings suggest that OE-CNPs demonstrated favourable physicochemical properties and enhanced predicted binding to NF-κB and SIRT1, suggesting potential modulation of the SIRT1/NF-κB pathway in hyperglycaemia-associated testicular inflammation. Further in vitro and in vivo studies are required to validate the predicted antidiabetic and testis-protective effects of OE-CNP.