Acetylenic inhibitors of ADAM10 and ADAM17: In silico analysis of potency and selectivity

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 3, 2010, Pages 436-442

  Healy, Eamonn F ^a   Romano, Pablo ^a   Mejia, Moises ^a   Lindfors, Gunnar ^a  

^a ST EDWARD'S UNIVERSITY   (United States)

Author keywords

ADAM10; ADAM17; Metalloproteinase inhibition docking; Molecular modeling hydroxamate; TACE

Indexed keywords

ADAM10; ADAM17; CYTOKINES; IN-SILICO; IN-VIVO; LIGAND GROUPS; MATRIX METALLOPROTEINASES; METALLOPROTEINASES; MOLECULAR MODELING STUDIES; PHYSIOLOGICAL PROCESS; RHEUMATOID ARTHRITIS; SIDE EFFECT; SMALL MOLECULE INHIBITOR; STRUCTURE-BASED DESIGNS; TACE; TISSUE REPAIR;

BIOCHEMISTRY; DOCKING; MOLECULAR MODELING; SULFUR COMPOUNDS;

BLOOD VESSELS;

ACETYLENE; ADAM10 ENDOPEPTIDASE; LIGAND; SULFONAMIDE; TUMOR NECROSIS FACTOR ALPHA CONVERTING ENZYME; TUMOR NECROSIS FACTOR ALPHA CONVERTING ENZYME INHIBITOR;

ARTICLE; CATALYSIS; COMPUTER MODEL; CRYSTAL STRUCTURE; CYTOKINE RELEASE; MOLECULAR MODEL; PRIORITY JOURNAL; TISSUE REPAIR;

ACETYLENE; ADAM PROTEINS; AMINO ACID SEQUENCE; AMYLOID PRECURSOR PROTEIN SECRETASES; HUMANS; MEMBRANE PROTEINS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 78649528785     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.08.006     Document Type: Article

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