Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study
Samo za registrovane korisnike
2013
Autori
Ivković, BrankaNikolić, Katarina
Ilić, Bojana B.
Žižak, Željko
Novaković, Radmila
Čudina, Olivera
Vladimirov, Sote
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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.
Ključne reči:
Propafenone derivatives / Chalcones / QSAR / Anticancer agentsIzvor:
European Journal of Medicinal Chemistry, 2013, 63, 239-255Izdavač:
- Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux
Finansiranje / projekti:
- Razvoj molekula sa antiinflamatornim i kardioproaktivnim dejstvom: strukturne modifikacije, modelovanje, fizičkohemijska karakterizacija i formulaciona ispitivanja (RS-MESTD-Basic Research (BR or ON)-172041)
DOI: 10.1016/j.ejmech.2013.02.013
ISSN: 0223-5234
PubMed: 23501110
WoS: 000322855400025
Scopus: 2-s2.0-84874936148
Institucija/grupa
PharmacyTY - JOUR AU - Ivković, Branka AU - Nikolić, Katarina AU - Ilić, Bojana B. AU - Žižak, Željko AU - Novaković, Radmila AU - Čudina, Olivera AU - Vladimirov, Sote PY - 2013 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1977 AB - 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. PB - Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux T2 - European Journal of Medicinal Chemistry T1 - Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study VL - 63 SP - 239 EP - 255 DO - 10.1016/j.ejmech.2013.02.013 ER -
@article{ author = "Ivković, Branka and Nikolić, Katarina and Ilić, Bojana B. and Žižak, Željko and Novaković, Radmila and Čudina, Olivera and Vladimirov, Sote", year = "2013", 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.", publisher = "Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux", journal = "European Journal of Medicinal Chemistry", title = "Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study", volume = "63", pages = "239-255", doi = "10.1016/j.ejmech.2013.02.013" }
Ivković, B., Nikolić, K., Ilić, B. B., Žižak, Ž., Novaković, R., Čudina, O.,& Vladimirov, S.. (2013). Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study. in European Journal of Medicinal Chemistry Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux., 63, 239-255. https://doi.org/10.1016/j.ejmech.2013.02.013
Ivković B, Nikolić K, Ilić BB, Žižak Ž, Novaković R, Čudina O, Vladimirov S. Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study. in European Journal of Medicinal Chemistry. 2013;63:239-255. doi:10.1016/j.ejmech.2013.02.013 .
Ivković, Branka, Nikolić, Katarina, Ilić, Bojana B., Žižak, Željko, Novaković, Radmila, Čudina, Olivera, Vladimirov, Sote, "Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structure-activity relationship study" in European Journal of Medicinal Chemistry, 63 (2013):239-255, https://doi.org/10.1016/j.ejmech.2013.02.013 . .