Phytochemical-mediated modulation of cancer-associated proteins: an integrated in-silico and in-vitro study

Cancer is a complex and widespread disease affecting various organs and tissues, with an expected significant increase in reported cases. Current treatments like chemotherapy and radiation therapy have limited efficacy and adverse side effects. This study investigated the multi-target therapeutic potential of seven phytochemicals against critical cancer-associated proteins. Computational docking studies analysed the binding interactions between phytochemicals and proteins, supported by in-vitro experiments on cancer cell lines. Vero cells assessed cytotoxicity, and the A549 cancer cell line evaluated anticancer activity. Cytotoxicity assessment on Vero cells revealed concentration-dependent effects of phytochemicals. Anticancer activity evaluation on the A549 cell line demonstrated the ability of certain phytochemicals to inhibit cancer cell proliferation and induce apoptosis. Cancer, Therapeutic agents, Phytochemicals, Computational docking studies, In-vitro experiments, Cytotoxicity, Anticancer activity, Chemotherapy, Vero cells, A549 cell line, multi-targeted therapeutic potential, Critical cancer-associated proteins. Graphical Abstract