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Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study

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2013
Authors
Ivković, Branka
Nikolić, Katarina
Ilić, Bojana B.
Žižak, Željko
Novaković, Radmila
Čudina, Olivera
Vladimirov, Sote
Article (Published version)
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Abstract
Series of twelve chalcone and propafenone derivatives has been synthesized and evaluated for anticancer activities against Hela, Fem-X, PC-3, MCF-7, LS174 and K562 cell lines. The 2D-QSAR and 3D-QSAR studies were performed for all compounds with cytotoxic activities against each cancer cell line. Partial least squares (PLS) regression has been applied for selection of the most relevant molecular descriptors and QSAR models building. Predictive potentials of the created 2D-QSAR and 3D-QSAR models for each cell line were compared, by use of leave-one-out cross-validation and external validation, and optimal QSAR models for each cancer cell line were selected. The QSAR studies have selected the most significant molecular descriptors and pharmacophores of the chalcone and propafenone derivatives and proposed structures of novel chalcone and propafenone derivatives with enhanced anticancer activity on the HeLa, Fem-X, PC-3, MCF-7, LS174 and K562 cells.
Keywords:
Propafenone derivatives / Chalcones / QSAR / Anticancer agents
Source:
European Journal of Medicinal Chemistry, 2013, 63, 239-255
Publisher:
  • Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux
Projects:
  • Development of molecules with antiinflammatory and cardioprotective activity: structural modifications, modelling, physicochemical characterization and formulation investigations (RS-172041)

DOI: 10.1016/j.ejmech.2013.02.013

ISSN: 0223-5234

PubMed: 23501110

WoS: 000322855400025

Scopus: 2-s2.0-84874936148
[ Google Scholar ]
15
15
URI
http://farfar.pharmacy.bg.ac.rs/handle/123456789/1977
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  • Radovi istraživača / Researchers’ publications
Institution
Pharmacy

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