Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa

Journal of Medicinal Chemistry

Volumn 42, Issue 3, 1999, Pages 458-477

  Böhm, Markus ^a   Stürzebecher, Jörg ^b   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BLOOD CLOTTING FACTOR 10A INHIBITOR; THROMBIN INHIBITOR; TRYPSIN INHIBITOR;

ARTICLE; BINDING AFFINITY; BLOOD CLOTTING; DRUG SELECTIVITY; DRUG STRUCTURE; MOLECULAR INTERACTION; MOLECULAR MODEL; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ACTIVITY RELATION;

BINDING SITES; ELECTROSTATICS; FACTOR XA; MODELS, MOLECULAR; SERINE PROTEINASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP; THROMBIN; TRYPSIN;

EID: 0037920567     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm981062r     Document Type: Article

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