Mapping drug architecture by MoStBioDat: Rapid screening of intramolecular hydrogen bonded motifs in catechols

Drug Development Research

Volumn 72, Issue 2, 2011, Pages 209-218

  Bak, Andrzej ^a   Magdziarz, Tomasz ^a   Kurczyk, Agata ^a   Polanski, Jaroslaw ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

catechols; intramolecular hydrogen bonding; MoStBioDat; relational database; virtual ligand screening

Indexed keywords

ADRENALIN; APOMORPHINE; ARBUTAMINE; BETANIDINE; CARBIDOPA; CATECHOL DERIVATIVE; DOBUTAMINE; DOPAMINE; ENTACAPONE; FENOLDOPAM; ISOETARINE; ISOPRENALINE; LEVODOPA; METHYLDOPA; NORADRENALIN; NORDIHYDROGUAIARETIC ACID; THREO 3,4 DIHYDROXYPHENYLSERINE; TOLCAPONE;

ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPUTER PROGRAM; CONFORMATION; DATA BASE; DRUG SCREENING; HYDROGEN BOND; MOLECULAR MODEL; MOSTBIODAT SOFTWARE; PRINCIPAL COMPONENT ANALYSIS; STRUCTURE ANALYSIS;

EID: 79953866404     PISSN: 02724391     EISSN: 10982299     Source Type: Journal    
DOI: 10.1002/ddr.20417     Document Type: Article

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