A Computational Antidiabetic Analysis of the Therapeutic Potentials of Phytochemicals in Garcinia Kola Extract

Abstract

Background: Herbal medications have an extensive history of use in treating various diseases, attributed to their perceived efficacy and safety. G. kola is a medicinal plant commonly utilized in traditional West African countries for diabetes therapy. While numerous reports have validated its biological potency, studies on the drug-likeness and antidiabetic properties of its compounds are limited. Aim: The research aims to identify drug-like phytochemicals from Garcinia kola extract and evaluate their antidiabetic potential through in silico screening. Materials and methods: The in silico pharmacological, and toxicological profile of aqueous/methanolic phytochemicals from previously reported work was analyzed using Swiss ADME and Protox II online server. The docking process was performed using PyRx-0.8, coupled with AutoDock Vina. Phytochemicals that aligned with Lipinski’s rules for drugs were then subjected to a virtual docking simulation. Results: This simulation replicated the inhibitory effects of Garcinia kola phytochemicals on sodium-glucose co-transporters (SGLT2) and α-amylase, similar to Metformin, an FDA-approved antidiabetic medicine utilized as a control. Conclusion: Phytochemicals such as Rutin (-11.34kcal/mol), Morelloflavone (-9.38kcal/mol), Amentoflavone (-8.54kcal/mol), Garcinianin (-8.40kcal/mol) and Volkensiflavone (-8.39kcal/mol) exhibited stronger binding than Metformin, suggesting G. kola as a promising antidiabetic source.