Deciphering bisphenol A (BPA)-elicited osteoarthritis mechanisms through network toxicology and molecular docking, then de novo generation of novel therapeutic candidates
Sumei Xu, Liping Jiang, Zhuo Zhang, Xin Luo, Wei Wu, Huilan Wu, Zhichun Huang, Zackary Falls, Ram Samudrala, Zhirong Tan · 2025
Read Deciphering bisphenol A (BPA)-elicited osteoarthritis mechanisms through network toxicology and molecular docking, then de novo generation of novel therapeutic candidates by Sumei Xu, Liping Jiang, Zhuo Zhang, Xin Luo, Wei Wu, Huilan Wu, Zhichun Huang, Zackary Falls, Ram Samudrala, Zhirong Tan (2025) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-12822084.txt.
Description
Sumei Xu, Liping Jiang, and their co-authors traced how a common plastic chemical might drive osteoarthritis, then drafted fresh drug candidates. Their 2025 study concerns bisphenol A, a widespread pollutant increasingly tied to joint disease, for which no cure exists. Network toxicology methods linked the chemical's targets with disease targets drawn from several databases.
Their analysis found twenty six candidate targets, with five hubs at the center, including a hormone receptor and an inflammation enzyme. Pathway checks showed which cell processes the chemical likely disturbs. Docking simulations tested how the chemical binds its core targets. A drug design platform then generated new candidate compounds aimed at those hubs. The pipeline moves from pollution mechanism to therapy ideas in one study.
Catalog record
| CREATOR | Sumei Xu, Liping Jiang, Zhuo Zhang, Xin Luo, Wei Wu, Huilan Wu, Zhichun Huang, Zackary Falls, Ram Samudrala, Zhirong Tan |
|---|---|
| YEAR | 2025 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 36 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |