CoMFA, CoMSIA, and Docking Studies on Thiolactone-Class of Potent Anti-malarials: Identification of Essential Structural Features Modulating Anti-malarial Activity

Chemical Biology and Drug Design

Volumn 78, Issue 3, 2011, Pages 483-493

  Roy, Kuldeep K ^a   Bhunia, Shome S ^a   Saxena, Anil K ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

CoMFA; CoMSIA; Docking; FAS; Malaria; Thiolactomycin

Indexed keywords

ANTIMALARIAL AGENT; HISTIDINE; THIOLACTOMYCIN;

ANTIMALARIAL ACTIVITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG DESIGN; DRUG STRUCTURE; GROWTH INHIBITION; HYDROGEN BOND; HYDROPHOBIC INTERACTION CHROMATOGRAPHY; LETTER; LIGAND BINDING; MOLECULAR DOCKING; PLASMODIUM FALCIPARUM; PRIORITY JOURNAL; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCORING SYSTEM;

ANTIMALARIALS; DRUG DESIGN; HUMANS; MALARIA, FALCIPARUM; MODELS, MOLECULAR; PLASMODIUM FALCIPARUM; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIOPHENES;

PLASMODIUM FALCIPARUM;

EID: 80051579698     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01158.x     Document Type: Letter

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