Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniques

Bioorganic and Medicinal Chemistry Letters

Volumn 21, Issue 1, 2011, Pages 577-583

  Noha, Stefan M ^a   Atanasov, Atanas G ^b   Schuster, Daniela ^a,d   Markt, Patrick ^a,d   Fakhrudin, Nanang ^b   Heiss, Elke H ^b   Schrammel, Olivia ^b   Rollinger, Judith M ^a   Stuppner, Hermann ^a   Dirsch, Verena M ^b   Wolber, Gerhard ^a,c  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b UNIVERSITY OF VIENNA   (Austria)

^c FREIE UNIVERSITÄT BERLIN   (Germany)

^d Inte:Ligand GmbH   (Austria)

Author keywords

I kappa B kinase ; IKK ; Pharmacophore; Shape based screening; Virtual screening

Indexed keywords

I KAPPA B KINASE BETA INHIBITOR; I KAPPA B KINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; DRUG SCREENING; DRUG STRUCTURE; ENZYME ACTIVITY; IC 50; IN VITRO STUDY; MOLECULAR MODEL;

ADAMANTANE; BENZOATES; BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; HUMANS; I-KAPPA B KINASE; LIGANDS; MODELS, MOLECULAR; PROTEIN KINASE INHIBITORS; RECOMBINANT PROTEINS;

EID: 78650509981     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2010.10.051     Document Type: Article

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