Computational approaches to model ligand selectivity in drug design

Current Topics in Medicinal Chemistry

Volumn 6, Issue 1, 2006, Pages 41-55

  Ortiz, Angel R ^a   Gomez Puertas, Paulino ^a   Leo Macias, Alejandra ^a   Lopez Romero, Pedro ^a   Lopez Viñas, Eduardo ^a   Morreale, Antonio ^a   Murcia, Marta ^b   Wang, Kun ^c  

^a CENTRO DE BIOLOGÍA MOLECULAR SEVERO OCHOA   (Spain)

^b WEILL CORNELL MEDICAL COLLEGE   (United States)

^c UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

Bioinformatics; Docking; Ligand selectivity; Receptor based drug design

Indexed keywords

AMPA RECEPTOR; BLOOD CLOTTING FACTOR 10A; BLOOD CLOTTING FACTOR 10A INHIBITOR; CARNITINE ACETYLTRANSFERASE; CARNITINE ACYLTRANSFERASE; CARNITINE PALMITOYLTRANSFERASE; CELL NUCLEUS RECEPTOR; CYCLIN DEPENDENT KINASE 2 INHIBITOR; CYCLIN DEPENDENT KINASE INHIBITOR; DRUG; ESTRADIOL; ESTRADIOL ANTIBODY; GELATINASE INHIBITOR; JANUS KINASE; MATRIX METALLOPROTEINASE; N METHYL DEXTRO ASPARTIC ACID; PHOSPHODIESTERASE V INHIBITOR; PHOSPHOTRANSFERASE INHIBITOR; PROTEIN KINASE INHIBITOR; PROTEINASE; PROTEINASE INHIBITOR; PURVALANOL B; SERINE PROTEINASE; SILDENAFIL; STROMELYSIN INHIBITOR; THROMBIN; THROMBIN INHIBITOR; TRYPSIN; CHOLINE ACETYLTRANSFERASE; ENZYME INHIBITOR; LIGAND; PROTEIN KINASE;

ANALYTIC METHOD; BIOINFORMATICS; COMBINATORIAL CHEMISTRY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG BINDING; DRUG DESIGN; DRUG DNA INTERACTION; DRUG RESEARCH; DRUG TARGETING; EYE DISEASE; GENOMICS; HUMAN; MOLECULAR LIBRARY; MOLECULAR MECHANICS; MOLECULAR MODEL; MONTE CARLO METHOD; ORTHOLOGY; PARALOGY; PREDICTION; PROTEIN BINDING; PROTEIN DNA INTERACTION; PROTEIN FAMILY; PROTEIN STRUCTURE; PROTEOMICS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SEQUENCE ANALYSIS; SEQUENCE HOMOLOGY; AMINO ACID SEQUENCE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; ENZYME SPECIFICITY; METABOLISM; MOLECULAR GENETICS;

AMINO ACID SEQUENCE; CHEMISTRY, PHARMACEUTICAL; CHOLINE O-ACETYLTRANSFERASE; COMPUTER-AIDED DESIGN; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN KINASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SERINE ENDOPEPTIDASES; SUBSTRATE SPECIFICITY;

EID: 33644853216     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/156802606775193338     Document Type: Review

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