Combining Phytochemical and Computational Approach on Citrus hystrix DC. (Kaffir Lime) Peel Extract: Anti-Diabetic...

The peel of Citrus hystrix DC. (kaffir lime), an underexploited agro-industrial by-product, may have bioactives. This work tested the ethanolic extract of C. hystrix peel's (EeChP) phytochemicals by GC-MS profiling, and the antidiabetic effect was evaluated using the alpha-amylase inhibitory test, and the anti-inflammatory activity was done using the human red blood cell (HRBC) membrane model. The antibacterial effect was determined using the agar well diffusion method against Staphylococcus aureus and Escherichia coli. Major constituents subjected to pharmacokinetic and ADMET filtering, molecular docking, Gene Ontology (GO), and KEGG pathway analysis for mechanistic plausibility. The GC-MS detected 44 phytoconstituents, including limonene, γ-sitosterol, and β-amyrin. EeChP inhibited α-amylase (IC₅₀ = 80.97 µg/mL) and the stabilized HRBC membrane (IC₅₀ = 64 µg/mL). The extract demonstrated substantial antibacterial action against S. aureus (IZD = 6 mm at 200 µg/well) but failed against E. coli. The β-amyrin and scoparone were found to be non-toxic. Scoparone and carbonic anhydrase 12 were connected with β-amyrin and protein tyrosine phosphatase non-receptor type 1. EeChP has anti-diabetic, multi-target, modulatory, and anti-inflammatory effects. The results recommend C. hystrix peel's bioresource potential, but enzyme kinetics, antimicrobial MIC, and in vivo research are necessary. The research has contributed to accomplishing SDG 3 and SDG 12.