Beyond the frog: The evolution of homology models of human IKKβ

Nicholas Y. Palermo, Amarnath Natarajan

Research output: Contribution to journalArticle

1 Citation (Scopus)

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

Fingerprint

Anura
Crystal structure
Xenopus laevis
Libraries
Tumors
Chronic Disease
Phosphotransferases
Neoplasms

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

Cite this

Beyond the frog : The evolution of homology models of human IKKβ. / Palermo, Nicholas Y.; Natarajan, Amarnath.

In: Bioorganic and Medicinal Chemistry Letters, Vol. 21, No. 20, 15.10.2011, p. 6081-6084.

Research output: Contribution to journalArticle

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