Prospective virtual screening in a sparse data scenario: Design of small-molecule TLR2 antagonists

ChemMedChem

Volumn 9, Issue 4, 2014, Pages 813-822

  Murgueitio, Manuela S ^a   Henneke, Philipp ^b   Glossmann, Hartmut ^c   Santos Sierra, Sandra ^c   Wolber, Gerhard ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b Molecular Epidemiology   (Germany)

^c UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

drug discovery; receptors; TLR2 antagonists; toll like receptors; virtual screening

Indexed keywords

RECEPTOR BLOCKING AGENT; TOLL LIKE RECEPTOR 2; TOLL LIKE RECEPTOR 2 ANTAGONIST; UNCLASSIFIED DRUG; LIGAND; MOLECULAR LIBRARY; TLR2 PROTEIN, HUMAN;

ANIMAL CELL; ARTICLE; COMPUTER AIDED DESIGN; CONTROLLED STUDY; DRUG BINDING SITE; DRUG DESIGN; DRUG SCREENING; HUMAN; HUMAN CELL; IC 50; LIGAND BINDING; MOLECULAR INTERACTION; MOUSE; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; SIGNAL TRANSDUCTION; STRUCTURE ACTIVITY RELATION; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; DOSE RESPONSE; MOLECULAR LIBRARY; PHARMACOLOGY; SYNTHESIS;

COMPUTER-AIDED DESIGN; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DESIGN; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP; TOLL-LIKE RECEPTOR 2;

EID: 84897980708     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201300445     Document Type: Article

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