Rotation Conformational Effects of Selected Cytotoxic Cardiac Glycosides on Their Interactions with Na+/K+-ATPase
Yulin Ren, Peirun Yang, Judith C. Gallucci, Can Wang, Xiaolin Cheng, Sijin Wu, A. Douglas Kinghorn · 2025
Read Rotation Conformational Effects of Selected Cytotoxic Cardiac Glycosides on Their Interactions with Na+/K+-ATPase by Yulin Ren, Peirun Yang, Judith C. Gallucci, Can Wang, Xiaolin Cheng, Sijin Wu, A. Douglas Kinghorn (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-12736116.txt.
Description
Cardenolides are plant steroids long used against heart failure, and they are now studied as possible cancer drugs because they bind the sodium-potassium pump Na+/K+-ATPase. Yulin Ren and co-authors ask how a molecule's shape changes that grip. Crystal structures show these compounds can twist in two places: the sugar unit at one end and the lactone ring at the other. The team docked several cardenolides, including digoxin, its core digoxigenin, gitoxin, and cryptanoside A, into the pump in each twisted form.
The twisted forms docked differently and scored differently, so shape clearly matters for binding. The authors suggest the forms are not frozen: in the body they likely swap back and forth, each form gripping the pump in its own way. Together the shifting shapes could add up to the drug effect each compound shows.
Catalog record
| CREATOR | Yulin Ren, Peirun Yang, Judith C. Gallucci, Can Wang, Xiaolin Cheng, Sijin Wu, A. Douglas Kinghorn |
|---|---|
| YEAR | 2025 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 33 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |