Identification of novel antimalarial chemotypes via chemoinformatic compound selection methods for a high-throughput screening program against the novel malarial target, PfNDH2: Increasing hit rate via virtual screening methods

Journal of Medicinal Chemistry

Volumn 55, Issue 7, 2012, Pages 3144-3154

  Sharma, Raman ^a   Lawrenson, Alexandre S ^a   Fisher, Nicholas E ^b   Warman, Ashley J ^b   Shone, Alison E ^b   Hill, Alasdair ^b   Mbekeani, Alison ^b   Pidathala, Chandrakala ^a   Amewu, Richard K ^a   Leung, Suet ^a   Gibbons, Peter ^a   Hong, David W ^a   Stocks, Paul ^a   Nixon, Gemma L ^b   Chadwick, James ^a   Shearer, Joanne ^c   Gowers, Ian ^c   Cronk, David ^c   Parel, Serge P ^c   O'Neill, Paul M ^a   Ward, Stephen A ^b   Biagini, Giancarlo A ^b   Berry, Neil G ^a   more..

^a UNIVERSITY OF LIVERPOOL   (United Kingdom)

^b LIVERPOOL SCHOOL OF TROPICAL MEDICINE   (United Kingdom)

^c BioFocus DPI   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMALARIAL AGENT; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE DEHYDROGENASE (UBIQUINONE);

ANTIMALARIAL ACTIVITY; ARTICLE; BAYESIAN LEARNING; DRUG IDENTIFICATION; DRUG INHIBITION; EXTENDED CONNECTIVITY FINGERPRINT; FUNCTIONAL CLASS FINGERPRINT; HIGH THROUGHPUT SCREENING; MEDICAL INFORMATICS; MOLECULAR ACCESS SYSTEM; PRINCIPLE COMPONENT ANALYSIS; SUBSTRUCTURAL SEARCH; TURBO SIMILARITY SEARCHING;

ANTIMALARIALS; BAYES THEOREM; DATABASES, FACTUAL; HIGH-THROUGHPUT SCREENING ASSAYS; INFORMATICS; PARASITIC SENSITIVITY TESTS; PLASMODIUM FALCIPARUM; PRINCIPAL COMPONENT ANALYSIS; PROTOZOAN PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINONE REDUCTASES;

EID: 84859806894     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm3001482     Document Type: Article

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