Combining molecular docking and molecular dynamics simulation to explore Quercetin's affinity and interactions with wild-type and mutated phosphatase and tensin homolog (PTEN)
This study investigates the interaction of Quercetin with wild-type and mutant PTEN, a key tumor suppressor inactivated in many cancers. Using molecular docking and MD simulations, we found Quercetin has a significantly higher binding affinity for mutant PTEN, with docking energies of –6.44 kcal/mol...
Salvato in:
| Autori principali: | , , |
|---|---|
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Elsevier
2026-01-01
|
| Serie: | In Silico Research in Biomedicine |
| Soggetti: | |
| Accesso online: | http://www.sciencedirect.com/science/article/pii/S3050787126000375 |
| Tags: |
Nessun Tag, puoi essere il primo ad aggiungerne!!
|