Extraction, qualitative evaluation and computational analysis of Feronia elephantum as potential DPP-IV inhibitors

The present study aimed to investigate the phytochemical composition, safety profile, and antidiabetic potential of Feronia elephantum extract. The extract demonstrated acceptable physicochemical characteristics, including slightly acidic pH (۵.۴–۴.۹), low moisture content (۵.۷%), and absence of heavy metals and pesticide residues, indicating good purity and stability. Preliminary phytochemical screening revealed the abundant presence of phenolic compounds and flavonoids, along with moderate levels of tannins, steroids, and glycosides, suggesting strong antioxidant potential. Microbial analysis confirmed the absence of pathogenic microorganisms, ensuring microbiological safety. LC–HRMS analysis identified a diverse range of bioactive compounds, including caffeic acid, ferulic acid, chlorogenic acid, rutin, quercetin derivatives, β-sitosterol, and ursolic acid, indicating a rich phytochemical profile. Molecular docking studies against the DPP-۴ enzyme revealed that glycosylated flavonoids, particularly apigenin-۷-O-rutinoside (−۹.۶ kcal/mol), quercetin-۳-O-glucoside (−۹.۲ kcal/mol), and rutin (−۹.۱ kcal/mol), exhibited strong binding affinity compared to the native ligand (NL-۶B۱E). ADMET analysis highlighted that smaller phenolic compounds possess more favorable pharmacokinetic and safety profiles, whereas larger glycosylated flavonoids may have limitations in bioavailability despite higher binding affinity. Overall, the findings suggest that Feronia elephantum is a promising natural source of bioactive compounds with potential antidiabetic activity, with key candidates identified for further in vitro and in vivo validation and drug development.

کلیدواژه ها:

Feronia elephantum ، LC-HRMS analysis ، Molecular docking ، ADMET analysis ، antidiabetic activity