Published in
Wiley, Angewandte Chemie International Edition, 31(51), p. 7702-7705, 2012
Wiley, Angewandte Chemie, 31(124), p. 7822-7825
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Molecular Dynamics Reveal that isoDGR-Containing Cyclopeptides Are True αvβ3 Antagonists Unable To Promote Integrin Allostery and Activation
Journal article published in 2012 by
Michela Ghitti,
Andrea Spitaleri 
,
Barbara Valentinis,
Silvia Mari,
Claudia Asperti,
Catia Traversari,
Gian Paolo Rizzardi,
Giovanna Musco
,
Barbara Valentinis,
Silvia Mari,
Claudia Asperti,
Catia Traversari,
Gian Paolo Rizzardi,
Giovanna Musco
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Abstract
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.