Combining ligand- and structure-based approaches for the discovery of new inhibitors of the EPHA2-ephrin-A1 interaction

Journal of Chemical Information and Modeling

Volumn 54, Issue 10, 2014, Pages 2621-2626

  Pala, Daniele ^a   Castelli, Riccardo ^a   Incerti, Matteo ^a   Russo, Simonetta ^a   Tognolini, Massimiliano ^a   Giorgio, Carmine ^a   Hassan Mohamed, Iftiin ^a   Zanotti, Ilaria ^a   Vacondio, Federica ^a   Rivara, Silvia ^a   Mor, Marco ^a   Lodola, Alessio ^a  

^a UNIVERSITY OF PARMA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

ANTICANCER TARGETS; DOCKING CALCULATIONS; RECEPTOR ANTAGONISTS; SHAPE SIMILARITY; STRUCTURE-BASED; VIRTUAL SCREENING;

LIGANDS;

3 BETA-HYDROXY-DELTA 5-CHOLENIC ACID; 4-(4-CYCLOPENTYLNAPHTHALEN-1-YL)-4-OXOBUTANOIC ACID; ANTINEOPLASTIC AGENT; BUTYRIC ACID DERIVATIVE; CHOLIC ACID DERIVATIVE; EPHRIN A1; EPHRIN RECEPTOR A2; LIGAND; NAPHTHALENE DERIVATIVE; PROTEIN BINDING; PROTEIN KINASE INHIBITOR;

ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; COMPUTER INTERFACE; DRUG DEVELOPMENT; HIGH THROUGHPUT SCREENING; HUMAN; MOLECULAR DOCKING; STRUCTURE ACTIVITY RELATION;

ANTINEOPLASTIC AGENTS; BINDING SITES; BUTYRATES; CHOLIC ACIDS; DRUG DISCOVERY; EPHRIN-A1; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; NAPHTHALENES; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; RECEPTOR, EPHA2; STRUCTURE-ACTIVITY RELATIONSHIP; USER-COMPUTER INTERFACE;

EID: 84908246685     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci5004619     Document Type: Article

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