Identification of human IKK-2 inhibitors of natural origin (Part II): In Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity

European Journal of Medicinal Chemistry

Volumn 46, Issue 12, 2011, Pages 6098-6103

  Sala, Esther ^a   Guasch, Laura ^a   Iwaszkiewicz, Justyna ^b   Mulero, Miquel ^a   Salvadó, Maria Josepa ^a   Bladé, Cinta ^a   Ceballos, Meritxell ^c   Valls, Cristina ^a   Zoete, Vincent ^b   Grosdidier, Aurélien ^b   Garcia Vallvé, Santiago ^a,c   Michielin, Olivier ^b   Pujadas, Gerard ^a,c  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b SWISS INSTITUTE OF BIOINFORMATICS   (Switzerland)

^c TECNIO   (Spain)

Author keywords

Chronic inflammation; Homology model; IKK ; Pharmacognosy; Scaffold hopping; Virtual screening

Indexed keywords

1,4 DIDEOXY 1,4 IMINO (2 O BETA DEXTRO GLUCOPYRANOSYL) DEXTRO ARABINITOL; 2 TERT BUTYL HYDROQUINONE; 4BETA (2 AMINOETHYLTHIOL)EPICATECHIN; 5 HYDROXYFURANO[7,6:4'',5'']FLAVONE; ANTIINFLAMMATORY AGENT; ARISTOLACTAM FI; ARISTOLOLACTAM; ARISTOLOLACTAM B III; AYANIN; BAICALEIN; BIFLAVONOID; BROUSSONIN F; CANNABIS; EPICATECHIN; GAMMA COTONEFURAN; HARMOL; I KAPPA B; IRISTECTORIGENIN A; ISOFLAVONE DERIVATIVE; MALVIDIN CHLORIDE; METHYL BETA DEXTRO APIOFURANOSYL(1-6)BETA DEXTRO GLUCOPYRANOSIDE; NF KAPPA B KINASE 2 INHIBITOR; NIGELLIDINE; OLDHAMACTAM; PLANT EXTRACT; PLANT MEDICINAL PRODUCT; UNCLASSIFIED DRUG;

AILANTHUS ALTISSIMA; ANTIINFLAMMATORY ACTIVITY; APULEIA LEIOCARPA; ARTICLE; BLACK BYRONY; BLACK CUMIN; BLUMEA BALSAMIFERA; BROUSSONETIA PAPYRIFERA; CASSIA SIAMEA; COMBRETUM APICULATUM; COMPUTER MODEL; CRATAEGUS MONOGYNA; CUMIN; DATA BASE; DRUG IDENTIFICATION; DRUG ISOLATION; DRUG SCREENING; DRUG STRUCTURE; EVODIA RUTAECARPA; FISSISTIGMA OLDHAMII; GRAPE; INULA VISCOSA; IRIS GERMANICA; KAEMPFERIA PARVIFLORA; LAVANDULA ANGUSTIFOLIA; MEDICINAL PLANT; MORUS ALBA; OROXYLUM INDICUM; PAEONIA SUFFRUTICOSA; PASSION FRUIT; PEGANUM HARMALA; PHYSALIS MINIMA; PICRASMA QUASSIOIDES; PIPER LONGUM; PLUMBAGO INDICA; PONGAMIA PINNATA; PREDICTION; SCAPHYGLOTTIS LIVIDA; SCOPARIA DULCIS; SCUTELLARIA BAICALENSIS; SIEGESBECKIA GLABRESCENS; TERMINALIA ARJUNA; VACCINIUM MYRTILLUS; ZANTHOXYLUM AVICENNAE;

ANTI-INFLAMMATORY AGENTS; BIOLOGICAL AGENTS; DATABASES, FACTUAL; DRUG DISCOVERY; HUMANS; I-KAPPA B KINASE; PLANT EXTRACTS; PLANTS, MEDICINAL; PROTEIN KINASE INHIBITORS; WORKFLOW;

EID: 80955157306     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.09.022     Document Type: Article

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