Identification of potential inhibitors of PTEN tumor suppressor gene from phytochemical constituents found in tomato (Solanum lycopersicum) via biocomputational analysis

Abstract

The research investigates the potential of phytochemical constituents found in tomatoes (Solanum lycopersicum) to inhibit the PTEN tumor suppressor gene, which is frequently mutated in endometrial cancer. Endometrial cancer, primarily adenocarcinomas, is often linked to genetic mutations, particularly in the PTEN gene, which is crucial for regulating cell proliferation and apoptosis through the PI3K/AKT pathway. This study leverages biocomputational analysis to identify bioactive compounds in tomato peel, pulp, and seeds that could serve as alternative inhibitors to the PTEN gene, comparing their efficacy to the control drug Lenvatinib mesylate. The methodology involved preparing the PTEN protein structure, retrieving phytochemicals from tomatoes, and performing molecular docking to assess binding affinities. The top three ligands from each tomato component were selected based on their binding energies and underwent ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) analysis to evaluate their drug-likeness. Results indicated that several tomato-derived compounds exhibit binding energies comparable to or better than Lenvatinib mesylate, suggesting potential as natural therapeutic agents. The study concludes that tomato phytochemicals, particularly those with high binding affinities, hold promise for developing dietary supplements aimed at treating endometrial cancer with potentially fewer side effects than conventional drugs.