Probing the binding stability of organic UV filters to human SLC transporters using AlphaFold and molecular dynamics simulations
Ruikai Xing, Zhongquan Jiang, Tianyi Wei, Jiale Chen, Lijun Zhang, Shuangqing Hu, Zhemin Shen, Tao Yuan · 2026
Read Probing the binding stability of organic UV filters to human SLC transporters using AlphaFold and molecular dynamics simulations by Ruikai Xing, Zhongquan Jiang, Tianyi Wei, Jiale Chen, Lijun Zhang, Shuangqing Hu, Zhemin Shen, Tao Yuan (2026) 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-13483042.txt.
Description
Xing and colleagues investigated whether sunscreen ingredients might latch onto human transporter proteins, which ferry substances across cell membranes. Their 2026 study paired computer docking with moving simulations for many chemical and protein combinations, screening 23,970 pairs in total. Two sunscreen chemicals, shortened to TBPT and DBT, were checked closely against two transporters to see if the grip held over time.
Both chemicals formed stable complexes, holding their shape through simulations lasting 200 nanoseconds of modeled time. Their grip came from greasy contact points, called hydrophobic anchors, that stayed engaged more than 80 percent of the simulated time. Other sunscreen chemicals bound weakly or slipped away quickly. Xing cautions that sticking to a transporter does not prove the chemical is carried or harmful, but the ranking flags pairs worth laboratory follow-up.
Catalog record
| CREATOR | Ruikai Xing, Zhongquan Jiang, Tianyi Wei, Jiale Chen, Lijun Zhang, Shuangqing Hu, Zhemin Shen, Tao Yuan |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 50 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |