Deciphering bisphenol A (BPA)-elicited osteoarthritis mechanisms through network toxicology and molecular docking, then de novo generation of novel therapeutic candidates.

ABSTRACT:

Objective

Bisphenol A (BPA), a pervasive environmental pollutant, is increasingly associated with osteoarthritis (OA) development, yet its molecular mechanisms remain unknown. Currently, there is no definitive cure for OA.

Methods

BPA targets were predicted using STITCH and Swiss Target Prediction, while OA-related targets were collected from GeneCards, OMIM, and the Therapeutic Target Database (TTD). Protein-protein interaction (PPI) networks were constructed using STRING and visualized in Cytoscape to identify hub targets. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses were performed, and molecular docking with AutoDock evaluated BPA-core target interactions. We employed our Computational Analysis of Novel Drug Opportunities (CANDO)

SUBMITTER: Xu S 

PROVIDER: S-EPMC12822084 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature