Deciphering New Biomolecules, Antioxidants, and Human Dipeptidyl Peptidase-4 Inhibitor Potential of Green Celery: Bioprospecting Insights from Molecular Docking and In Vitro Investigation

Background Diabetes mellitus (DM) remains a significant global health challenge, necessitating the exploration of novel therapeutic strategies. Inhibition of Dipeptidyl Peptidase-4 (DPP-4) has gained considerable attention due to its role in enhancing glucagon-like peptide-1 (GLP-1) activity, thereby promoting insulin secretion and glycemic control. This study investigates the potential of green celery (Apium graveolens) extract as a natural source of DPP-4 inhibitors while evaluating its antioxidant properties. Results Using high-performance liquid chromatography-electrospray ionization-high-resolution mass spectrometry (HPLC-ESI-HRMS/MS), we identified bioactive compounds in green celery extract. Molecular docking simulations revealed strong binding interactions of key phytochemicals with DPP-4, suggesting their inhibitory potential. In vitro assays confirmed the DPP-4 inhibition capacity, with 4-aminobenzoic acid (C49) exhibiting the most potent activity (IC50 = 119.71 mg/mL), comparable to the synthetic inhibitor aminoguanidine (IC50 = 121.80 mg/mL). Additionally, antioxidant assays demonstrated robust radical-scavenging effects (DPPH IC50 = 0.085 mg/mL, ABTS IC50 = 1.041 mg/mL). These findings indicate the extract's potential for mitigating oxidative stress, a key contributor to diabetes complications, and underscore its multifaceted benefits. Conclusions These findings highlight green celery as a promising natural source of DPP-4 inhibitors. Its phytochemicals demonstrate both antidiabetic and complementary antioxidant properties. This study provides a foundation for further development of plant-based therapeutic agents for diabetes management.