Prospective performance evaluation of selected common virtual screening tools. Case study: Cyclooxygenase (COX) 1 and 2

European Journal of Medicinal Chemistry

Volumn 96, Issue , 2015, Pages 445-457

  Kaserer, Teresa ^a   Temml, Veronika ^a   Kutil, Zsofia ^b,c   Vanek, Tomas ^b   Landa, Premysl ^b   Schuster, Daniela ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b INSTITUTE OF EXPERIMENTAL BOTANY   (Czech Republic)

^c CZECH UNIVERSITY OF LIFE SCIENCES PRAGUE   (Czech Republic)

Author keywords

2D similarity based search; Cyclooxygenase; Docking; Method comparison; Pharmacophore modeling; Shape based modeling

Indexed keywords

6 METHYLTHIONAPROXEN; ACETAMINOSALOL; ACETPHENOLISATIN; ALCLOFENAC; ALDESULFONE; ALPHA METHYL 4 BIPHENYLACETIC ACID; AZOSEMIDE; CARPROFEN; CYCLOOXYGENASE 1; CYCLOOXYGENASE 1 INHIBITOR; CYCLOOXYGENASE 2; DIENESTROL; FENBUFEN; FLUNIXIN MEGLUMINE; FLURBIPROFEN; IBUPROFEN; INDOMETACIN; INDOPROFEN; KETOPROFEN; MECLOFENAMIC ACID; METHAPYRILENE; NORETYNODREL; PHENACETIN; PICOSULFATE SODIUM; PIRPROFEN; SACCHARIN; SALAZOSULFAPYRIDINE; SD 8381; TIAPROFENIC ACID; UNCLASSIFIED DRUG; UNINDEXED DRUG; PROSTAGLANDIN SYNTHASE INHIBITOR;

ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTAL STRUCTURE; IN VITRO STUDY; LIGAND BINDING; MOLECULAR DOCKING; PHARMACOPHORE; PROSPECTIVE STUDY; SCREENING; CHEMISTRY; DOSE RESPONSE; HUMAN; METABOLISM; MOLECULAR MODEL; PRECLINICAL STUDY; STRUCTURE ACTIVITY RELATION;

CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE INHIBITORS; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG EVALUATION, PRECLINICAL; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84928563915     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2015.04.017     Document Type: Article

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