Uncovering false positives on a virtual screening search for cruzain inhibitors

Bioorganic and Medicinal Chemistry Letters

Volumn 18, Issue 1, 2008, Pages 350-354

  Malvezzi, Alberto ^a   de Rezende, Leandro ^a   Izidoro, Mario Augusto ^b   Cezari, Maria Helena Sedenho ^b   Juliano, Luiz ^b   Amaral, Antonia T do ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b FEDERAL UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Cruzain inhibitors; Promiscuous mechanism; Virtual screening

Indexed keywords

CRUZIPAIN; CYSTEINE; PROTEIN INHIBITOR;

ARTICLE; CATALYSIS; COMPUTER PROGRAM; DATA ANALYSIS; DATA BASE; DRUG SCREENING; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITION; HIGH THROUGHPUT SCREENING; VIRTUAL REALITY; VIRTUAL SCREENING;

BINDING SITES; CYSTEINE ENDOPEPTIDASES; CYSTEINE PROTEINASE INHIBITORS; FALSE POSITIVE REACTIONS; KETONES; MODELS, MOLECULAR; NITRILES; PROTOZOAN PROTEINS; RECOMBINANT PROTEINS; SEMICARBAZONES;

EID: 37549011409     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2007.10.068     Document Type: Article

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