Applying molecular dynamics simulations to validate OCT1 substrates uncovers vitamin K1 as a high-affinity ligand
Elham Omer Mahgoub, Reem Ali, Ayman Samara, Dindial Ramotar · 2026
Read Applying molecular dynamics simulations to validate OCT1 substrates uncovers vitamin K1 as a high-affinity ligand by Elham Omer Mahgoub, Reem Ali, Ayman Samara, Dindial Ramotar (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/PMC13328187.txt.
Description
Elham Omer Mahgoub and co-authors validate substrates of the liver uptake transporter OCT1 in a 2026 study. OCT1 pulls many drugs, including metformin, into liver cells, and reported partners span a huge affinity range. The team joined computer docking and motion simulations with uptake tests in engineered kidney cells.
Simulations agreed with earlier work that ethidium bromide binds OCT1 tightly, and cells lacking OCT1 barely took it up, while metformin blocked its transport strongly. A fresh finding crowned the work: vitamin K1 potently blocked OCT1-driven uptake, marking it as a high-affinity partner not reported before. Pairing modeling with bench checks offers a sturdy way to vet transporter claims.
Catalog record
| CREATOR | Elham Omer Mahgoub, Reem Ali, Ayman Samara, Dindial Ramotar |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 59940 |
| LICENSE | https://creativecommons.org/licenses/by/4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |