Premium
Molecular Dynamics Reveal that isoDGR‐Containing Cyclopeptides Are True αvβ3 Antagonists Unable To Promote Integrin Allostery and Activation
Author(s) -
Ghitti Michela,
Spitaleri Andrea,
Valentinis Barbara,
Mari Silvia,
Asperti Claudia,
Traversari Catia,
Rizzardi Gian Paolo,
Musco Giovanna
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201202032
Subject(s) - integrin , allosteric regulation , computational biology , block (permutation group theory) , chemistry , computer science , stereochemistry , bioinformatics , biochemistry , biology , receptor , mathematics , combinatorics
Ain't got that swing(‐out) : The cyclopeptide isoDGR is emerging as a new αvβ3 integrin binding motif. Agreement between the results of computational and biochemical studies reveals that isoDGR‐containing cyclopeptides are true αvβ3 integrin antagonists that block αvβ3 in its inactive conformation (see scheme). isoDGR‐based ligands may give αvβ3 antagonists without paradoxical effects.