Cytotoxic and phytochemical screening of Solanum lycopersicum–Daucus carota hydro-ethanolic extract and in silico evaluation of its lycopene content as anticancer agent

Abstract

Abstract This article explores the potential of a specific functional food mix containing lycopene, a pigment found in tomatoes, for its role in cervical cancer prevention and treatment. The article assesses the cytotoxic effects on cervical cancer cells and conducts molecular docking analysis to understand the biological activities and binding interactions of lycopene. The formulations are analysed for their phytochemical profile, and their in vitro antioxidant activities are evaluated using spectrophotometric methods. Cytotoxicity tests on cervical cancer cells demonstrate that the ethanol extract of tomatoes exhibits the highest cytotoxic inhibition (40.28%), while carrots show minimal cytotoxic effects. Moreover, the lycopene extract exhibits dose-dependent cytotoxicity, with the highest concentration (1,000 µg/mL) displaying remarkable inhibition (74.2%). Molecular docking analysis indicates favourable interactions between lycopene and the pro-apoptotic protein BAX 1, suggesting its potential to induce apoptosis in cervical cancer cells, but camptothecin demonstrated stronger interactions. Molecular dynamics simulations confirm the stability of lycopene–protein complexes throughout the 100 ns simulation, supporting their potential as anticancer agents. Overall, the study highlights the cytotoxic effects of tomato–carrot food extracts and lycopene on cervical cancer cells. Molecular docking reveals the potential of lycopene to induce apoptosis through interactions with BAX 1. The stability analysis of lycopene–protein complexes further supports its anticancer properties. These findings enhance our understanding of the molecular mechanisms underlying the anticancer effects of lycopene and provide insights for future research on novel chemopreventive strategies for cervical cancer. However, further in vivo and clinical studies are warranted to validate the efficacy and safety of lycopene-based interventions.