Spherical harmonics coefficients for Ligand-Based virtual screening of cyclooxygenase inhibitors

PLoS ONE

Volumn 6, Issue 7, 2011, Pages

  Wang, Quan ^a   Birod, Kerstin ^b   Angioni, Carlo ^b   Grösch, Sabine ^b   Geppert, Tim ^c   Schneider, Petra ^c   Rupp, Matthias ^d   Schneider, Gisbert ^c  

^a FRANKFURT INSTITUTE FOR ADVANCED STUDIES   (Germany)

^b GOETHE UNIVERSITY   (Germany)

^c ETH ZURICH   (Switzerland)

^d TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE; 5 (4 CHLOROPHENYL) 1 (4 METHOXYPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOLE; CELECOXIB; CYCLOOXYGENASE 1; CYCLOOXYGENASE 1 INHIBITOR; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR; INDOMETACIN; LIGAND; PROSTAGLANDIN SYNTHASE INHIBITOR;

ARTICLE; CONTROLLED STUDY; DRUG SCREENING; DRUG STRUCTURE; ENZYME INHIBITION; HUMAN; IN VITRO STUDY; MOLECULAR MODEL; PROSPECTIVE STUDY; RETROSPECTIVE STUDY; VALIDATION PROCESS; VIRTUAL REALITY; ANIMAL; BLOOD; CHEMISTRY; COMPUTER INTERFACE; ENZYME ASSAY; METABOLISM; METHODOLOGY; RECEIVER OPERATING CHARACTERISTIC; SHEEP; STANDARD;

ANIMALS; CYCLOOXYGENASE 2; CYCLOOXYGENASE INHIBITORS; DRUG EVALUATION, PRECLINICAL; ENZYME ASSAYS; HUMANS; LIGANDS; REFERENCE STANDARDS; ROC CURVE; SHEEP; USER-COMPUTER INTERFACE;

EID: 79960762817     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0021554     Document Type: Article

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