Integrative Biology Approaches Uncover Plasticizers’ Pro-Carcinogenic Role in Prostate Cancer via Molecular Docking and Network Toxicology

Abstract

Diethyl phthalate (DEP), dimethyl phthalate (DMP), and dioctyl phthalate (DOP) are common plasticizers. This study aimed to evaluate the potential roles of these plasticizers in the development of prostate cancer (PCa) via integrative biology approaches. We employed network toxicology analyses to examine interactions between these plasticizers and proteins critical to PCa development. Enrichment analysis and protein–protein interaction network analysis were conducted to identify relevant key proteins and pathways. Molecular docking was further employed to calculate binding affinity. Enrichment analysis initially identified the top 10 potential targets of three plasticizers. Molecular docking revealed that DEP, DMP, and DOP strongly bind to SIRT1, IL10, CASP3, and CDK2, which might be involved in PCa development. The study suggests that plasticizers may promote PCa development through interactions with SIRT1, IL10, CASP3, and CDK2. Future epidemiological and animal studies are needed to confirm these findings.