Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: The nitroindazolinone chemotype

European Journal of Medicinal Chemistry

Volumn 46, Issue 12, 2011, Pages 5736-5753

  Marrero Ponce, Yovani ^a,b   Siverio Mota, Dany ^b,d   Gálvez Llompart, María ^a   Recio, María C ^a   Giner, Rosa M ^a   García Domnech, Ramón ^a   Torrens, Francisco ^a   Arán, Vicente J ^c   Cordero Maldonado, María Lorena ^d   Esguera, Camila V ^d   De Witte, Peter A M ^d   Crawford, Alexander D ^d  

^a UNIVERSITY OF VALENCIA   (Spain)

^b CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^c INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^d UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Anti inflammatory compound; Anti inflammatory database; Atom based quadratic indices; Computational screening; Cytotoxicity; In vivo anti inflammatory assay; Lead generation; Learning machine based QSAR; TOMOCOMD CARDD software; Zebrafish

Indexed keywords

2 BENZYL 1 METHYL 5 NITRO 1,2 DIHYDRO 3H INDAZOL 3 1; ANTIINFLAMMATORY AGENT; INDOMETACIN; UNCLASSIFIED DRUG; UNINDEXED DRUG; VA M1; VA1 15; VA2 27; VA5 10; VA5 12B; VA5 13H; VA5 14G; VA5 14J; VA5 15; VA5 5A; VA5 5B; VA5 5C; VA5 5E; VA5 6; VA5 8; VA5 8PRE; VA5 9A; VA6 17B; VA6 6B; VA7 38; VA8 38; VAM6; VATR 1; VATR 4; VATR 5; VAX 23;

ACCURACY; ANIMAL CELL; ANIMAL EXPERIMENT; ANIMAL MODEL; ANIMAL TISSUE; ANTIINFLAMMATORY ACTIVITY; ARTICLE; COMPUTER MODEL; CONTROLLED STUDY; DRUG CYTOTOXICITY; DRUG POTENCY; DRUG SCREENING; DRUG SYNTHESIS; EAR DISEASE; EAR EDEMA; EDEMA; ENZYME ACTIVITY; FEMALE; IN VIVO STUDY; LEUKOCYTE MIGRATION INHIBITION; MACROPHAGE; MAXIMUM TOLERATED DOSE; MOLECULAR LIBRARY; MOUSE; NEUTROPHIL CHEMOTAXIS; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ZEBRA FISH;

ANIMALS; ANTI-INFLAMMATORY AGENTS; CELL MOVEMENT; DISCRIMINANT ANALYSIS; DRUG DESIGN; DRUG DISCOVERY; EAR; EDEMA; INDAZOLES; LARVA; LEUKOCYTES; MICE; MODELS, BIOLOGICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; ZEBRAFISH;

EID: 80955140498     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.07.053     Document Type: Article

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