Molecular dynamics reveal that isoDGR-containing cyclopeptides are true αvβ3 antagonists unable to promote integrin allostery and activation

Angewandte Chemie - International Edition

Volumn 51, Issue 31, 2012, Pages 7702-7705

  Ghitti, Michela ^a   Spitaleri, Andrea ^a   Valentinis, Barbara ^b   Mari, Silvia ^a   Asperti, Claudia ^b   Traversari, Catia ^b   Rizzardi, Gian Paolo ^b   Musco, Giovanna ^a  

^a SAN RAFFAELE HOSPITAL   (Italy)

^b MOLMED S P A   (Italy)

Author keywords

v 3 integrin; drug design; essential dynamics; molecular dynamics; receptor ligand interactions

Indexed keywords

ALLOSTERY; BIOCHEMICAL STUDIES; CYCLOPEPTIDES; DRUG DESIGN; ESSENTIAL DYNAMICS; INTEGRIN-BINDING MOTIFS; INTEGRINS; RECEPTOR-LIGAND INTERACTIONS;

CATALYSIS; CHEMISTRY;

MOLECULAR DYNAMICS;

ARGINYL-GLYCYL-ASPARTIC ACID; ARGINYLGLYCYLASPARTIC ACID; CYCLOPEPTIDE; OLIGOPEPTIDE; VITRONECTIN RECEPTOR;

ALLOSTERISM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; METABOLISM; MOLECULAR DYNAMICS;

ALLOSTERIC REGULATION; INTEGRIN ALPHAVBETA3; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PEPTIDES, CYCLIC;

EID: 84864398871     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201202032     Document Type: Article

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