Tuning and predicting biological affinity: Aryl nitriles as cysteine protease inhibitors

Organic and Biomolecular Chemistry

Volumn 10, Issue 30, 2012, Pages 5764-5768

  Ehmke, Veronika ^a   Quinsaat, Jose Enrico Q ^a   Rivera Fuentes, Pablo ^a   Heindl, Cornelia ^b   Freymond, Céline ^c,d   Rottmann, Matthias ^c,d   Brun, Reto ^c,d   Schirmeister, Tanja ^b,e   Diederich, François ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF WÜRZBURG   (Germany)

^c SWISS TROPICAL AND PUBLIC HEALTH INSTITUTE   (Switzerland)

^d UNIVERSITY OF BASEL   (Switzerland)

^e JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARYL NITRILE; BIOLOGICAL AFFINITY; CYSTEINE PROTEASE; CYSTEINE PROTEASE INHIBITORS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTROPHILICITY; RELATIVE REACTIVITIES; STRUCTURE ACTIVITY RELATIONSHIPS;

AMINO ACIDS; DENSITY FUNCTIONAL THEORY;

CYANIDES;

CATHEPSIN L; CYSTEINE PROTEINASE; CYSTEINE PROTEINASE INHIBITOR; NITRILE; RHODESAIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; ENZYME ACTIVE SITE; ENZYMOLOGY; HUMAN; METABOLISM; SYNTHESIS; TRYPANOSOMA BRUCEI;

CATALYTIC DOMAIN; CATHEPSIN L; CYSTEINE ENDOPEPTIDASES; CYSTEINE PROTEINASE INHIBITORS; DRUG DESIGN; HUMANS; MODELS, MOLECULAR; NITRILES; TRYPANOSOMA BRUCEI BRUCEI;

EID: 84863979078     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/c2ob00034b     Document Type: Article

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