1 Scopus citations

Abstract

Nuclear Factor κ B is implicated in tumor progression and chronic inflammatory diseases and is regulated by IκB kinase β (IKKβ). The crystal structure of IKKβ has been recently solved for Xenopus laevis. Homology models of human IKKβ have been developed prior to and after the crystal structure was solved. Here, we compare four models of human IKKβ and evaluate their performance in both broad and focused library docking studies.

Original languageEnglish (US)
Pages (from-to)6081-6084
Number of pages4
JournalBioorganic and Medicinal Chemistry Letters
Volume21
Issue number20
DOIs
StatePublished - Oct 15 2011

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Keywords

  • AutoDock Vina
  • Homology modeling
  • IκB kinase β
  • NF-κB
  • YASARA

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine
  • Molecular Biology
  • Pharmaceutical Science
  • Drug Discovery
  • Clinical Biochemistry
  • Organic Chemistry

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