A combined fragment-based virtual screening and STD-NMR approach for the identification of E-cadherin ligands

A combined fragment-based virtual screening and STD-NMR approach for the identification of E-cadherin ligands

Cadherins promote cell-cell adhesion by forming homophilic interactions via their N-terminal extracellular domains. Hence, they have broad-ranging physiological effects on tissue organization and homeostasis. When dysregulated, cadherins contribute to different aspects of cancer progression and meta...

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Bibliographic Details
Main Authors: Francesca Vasile, Francesca Lavore, Silvia Gazzola, Chiara Vettraino, Emilio Parisini, Umberto Piarulli, Laura Belvisi, Monica Civera
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-08-01
Series:Frontiers in Chemistry
Subjects:
fragment virtual screening
molecular dynamics
STD-NMR
cadherins
protein–protein interaction (PPI)
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.946087/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2022.946087/full

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