Design, selection, and evaluation of a general kinase-focused library

Hélène Decornez, Anna Gulyás-Forró, Ákos Papp, Miklós Szabó, Gabriella Sármay, István Hajdú, Sándor Cseh, György Dormán, Douglas B. Kitchen

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

(Chemical Equation Presented) The protein kinase family is an attractive target for new therapies, and compound libraries focused toward kinases have become important starting points in screening campaigns. Herein we report an integrated procedure that combines a 2D ligand-based selection procedure with 3D structure-based virtual screening to provide a tool to select target-family-focused compound sets. We evaluated the resulting selection by testing a small set of compounds in a kinase inhibition assay.

Original languageEnglish
Pages (from-to)1273-1278
Number of pages6
JournalChemMedChem
Volume4
Issue number8
DOIs
Publication statusPublished - Aug 3 2009

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Keywords

  • General kinase model
  • Kinase-focused library
  • Similarity
  • Virtual screening

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine
  • Pharmacology
  • Drug Discovery
  • Pharmacology, Toxicology and Pharmaceutics(all)
  • Organic Chemistry

Cite this

Decornez, H., Gulyás-Forró, A., Papp, Á., Szabó, M., Sármay, G., Hajdú, I., Cseh, S., Dormán, G., & Kitchen, D. B. (2009). Design, selection, and evaluation of a general kinase-focused library. ChemMedChem, 4(8), 1273-1278. https://doi.org/10.1002/cmdc.200900164