Chemical characterization, antioxidant and molecular docking studies on Ajwa pulp and seed concert extracts as...

Combinations of bioactive natural products often provide enhanced therapeutic effects due to synergistic interactions, though these are challenging to study with single-compound methods. Phoenix dactylifera var. Ajwa is a rich source of phytonutrients, and its seed byproduct also shows therapeutic promise. This study examines the phytochemical profile and antioxidant activities of combined Ajwa pulp and seed (APS) extracts through ex vivo, in vitro, and correlation analyses. GC-MS identified 73 compounds in APS, including diisobutyl phthalate (18.65%), methyl palmitate (9.66%), and methyl oleate (9.35%). Total phenolics ranged from 1079-5456 mg GAE/100g and flavonoids from 175-907 mg RE/100g. NMR confirmed α- and β-glucose in APS-M. APS-EA and APS-M inhibited oxidative hemolysis of human RBCs (>90%). APS-EA showed IC₅₀ values of 1.9 mg/mL (DPPH●) and 0.45 mg/mL (ABTS●+), while APS-HX showed 69% inhibition in β-carotene bleaching. Docking studies revealed strong binding of key compounds to RBC proteins, supporting antioxidant and membrane-protective effects. Overall, APS extract is a potent antioxidant with potential for nutraceutical use.