Mechanistic insights into the effects of Tris-2-butoxyethyl phosphate on multiple cancers using network toxicology and molecular docking.

ABSTRACT: This study investigates the potential mechanisms by which Tris(2-butoxyethyl) phosphate (TBEP) may contribute to the development and progression of human malignancies. Fourteen representative cancer types were selected to explore the molecular pathways through which TBEP may exert its effects. By integrating network toxicology, molecular docking, and molecular dynamics (MD) simulations, we elucidated the underlying mechanisms of TBEP-related carcinogenicity. Potential targets associated with these malignancies were identified using multiple databases, including Public Chemical Database (PubChem), Search Tool for Interacting Chemicals (STITCH), SwissTargetPrediction, The Human Gene Database (GeneCards), the Online Mendelian Inheritance in Man (OMIM), and the Therapeutic Target Database (TTD

SUBMITTER: Lu H 

PROVIDER: S-EPMC12329048 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature