Ultrasound-assisted extraction of antioxidative peptides from tomato (Solanum lycopersicum) and their anti-angiogenic potential via molecular docking

Bioactive peptides derived from natural sources have attracted significant attention for their antioxidative and anticancer potential. This study explores the potential of antioxidative peptides from Solanum lycopersicum var. Win Win, a new Malaysian tomato hybrid and their correlation with anticancer activity. Peptides were extracted using ultrasound-assisted extraction under optimized conditions: 4 mins extraction time, 57% amplitude, and 60% ethanol concentration, yielding 4.50 ± 0.11 mg/mL. The antioxidant activity of the peptide extracts was validated using DPPH and FRAP assays. Peptide identification through LC-MS/MS and PEAKS revealed 570 peptides. Identified peptides underwent in silico screening to refine lists for anticancer and antioxidant potential. This process also evaluated peptides that are lacking hemolytic, allergenic, and cytotoxic properties. Top five antioxidative peptides underwent molecular docking to evaluate the interaction with VEGFR2, a key target in cancer cells proliferation. Among them, YGYMC and RWYHNQ demonstrated better docking orientations with VEGFR2, suggesting strong binding affinity. These findings highlight the potential of tomato-derived peptides in cancer therapy development. Further in vitro validation is recommended to confirm their clinical applicability and efficacy.