Evaluation of the therapeutic potentials of extract fractions of Vernonia calvoana on streptozotocin-induced diabetic rats: approach through in silico, in vitro and in vivo studies

Background Diabetes is a serious metabolic disorder and many medicinal plants are used in traditional medicine to manage it. This study aimed to evaluate the therapeutic effects of Vernonia calvoana (V. calvoana) extract fractions on streptozotocin-induced diabetic rat models. In this study, we first investigated the binding affinity of ligands from extracts of V. calvoana crystal structure proteins using a molecular docking approach. Furthermore, the in silico predictions were validated by in vitro and in vivo biochemical evaluations to ascertain the efficacy of these extract fractions. The in vitro antioxidant activity of the fractions was evaluated using DPPH, FRAP, SOD, and LPx scavenging. For biological activity, extract fractions of V. calvoana and metformin (400 mg and 500 mg/kg body weight, respectively) were administered to diabetic rats for 21 days after induction and confirmation of diabetes. Results The radical scavenger activities of the fractions showed a good dose-dependent reaction activity. A significant reduction in hyperglycemia, hyperlipidemia, nephrotoxicity, and hepatotoxicity was observed in all experimental treated groups. Improved hematological and histopathological changes were also observed. Conclusion The In silico analyses revealed that all the compounds from extract fractions of V. calvoana have varying binding affinity for PFK and lipoprotein lipase, with some showing higher affinity than the standard drug, further validating the biological activity of the plant. The results of this study indicated that V. calvoana extracts might have potential value in treating complications arising from diabetes mellitus.