Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology
Authorized Users Only
2014
Authors
Đaković-Sekulić, TatjanaLozanov-Crvenković, Zagorka
Rančić, Milica
Trišović, Nemanja
Ušćumlić, Gordana
Article (Published version)
Metadata
Show full item recordAbstract
Quantitative structure-retention relationship (QSRR) study of retention data of thirteen 5-arylidene-2,4-thiazolidinediones obtained by reversed phase HPTLC. The effect of substituents attached to aryliden ring on the properties of TZD molecule, whose retention is closely correlated to the inhibitory activity, was investigated. PCA was used to show similarities/dissimilarities among the compounds. Stepwise regression models were calculated for each mobile phase modifier used. The obtained models were characterized by good fit and predictive abilities. The descriptors included in the models are connected with both lipophilic and donor/acceptor interactions.
Keywords:
MLR / QSAR/QSRR / PCA / molecular descriptors / inhibitory activity / 5-arylidene-2,4-thiazolidinedionesSource:
Journal of Liquid Chromatography & Related Technologies, 2014, 37, 14, 2021-2035Publisher:
- Taylor & Francis Inc, Philadelphia
Funding / projects:
- Study of the Synthesis, Structure and Activity of Natural and Synthetic Organic Compounds (RS-MESTD-Basic Research (BR or ON)-172013)
DOI: 10.1080/10826076.2013.825858
ISSN: 1082-6076
WoS: 000334067600008
Scopus: 2-s2.0-84898062058
Institution/Community
Tehnološko-metalurški fakultetTY - JOUR AU - Đaković-Sekulić, Tatjana AU - Lozanov-Crvenković, Zagorka AU - Rančić, Milica AU - Trišović, Nemanja AU - Ušćumlić, Gordana PY - 2014 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2856 AB - Quantitative structure-retention relationship (QSRR) study of retention data of thirteen 5-arylidene-2,4-thiazolidinediones obtained by reversed phase HPTLC. The effect of substituents attached to aryliden ring on the properties of TZD molecule, whose retention is closely correlated to the inhibitory activity, was investigated. PCA was used to show similarities/dissimilarities among the compounds. Stepwise regression models were calculated for each mobile phase modifier used. The obtained models were characterized by good fit and predictive abilities. The descriptors included in the models are connected with both lipophilic and donor/acceptor interactions. PB - Taylor & Francis Inc, Philadelphia T2 - Journal of Liquid Chromatography & Related Technologies T1 - Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology EP - 2035 IS - 14 SP - 2021 VL - 37 DO - 10.1080/10826076.2013.825858 ER -
@article{ author = "Đaković-Sekulić, Tatjana and Lozanov-Crvenković, Zagorka and Rančić, Milica and Trišović, Nemanja and Ušćumlić, Gordana", year = "2014", abstract = "Quantitative structure-retention relationship (QSRR) study of retention data of thirteen 5-arylidene-2,4-thiazolidinediones obtained by reversed phase HPTLC. The effect of substituents attached to aryliden ring on the properties of TZD molecule, whose retention is closely correlated to the inhibitory activity, was investigated. PCA was used to show similarities/dissimilarities among the compounds. Stepwise regression models were calculated for each mobile phase modifier used. The obtained models were characterized by good fit and predictive abilities. The descriptors included in the models are connected with both lipophilic and donor/acceptor interactions.", publisher = "Taylor & Francis Inc, Philadelphia", journal = "Journal of Liquid Chromatography & Related Technologies", title = "Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology", pages = "2035-2021", number = "14", volume = "37", doi = "10.1080/10826076.2013.825858" }
Đaković-Sekulić, T., Lozanov-Crvenković, Z., Rančić, M., Trišović, N.,& Ušćumlić, G.. (2014). Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology. in Journal of Liquid Chromatography & Related Technologies Taylor & Francis Inc, Philadelphia., 37(14), 2021-2035. https://doi.org/10.1080/10826076.2013.825858
Đaković-Sekulić T, Lozanov-Crvenković Z, Rančić M, Trišović N, Ušćumlić G. Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology. in Journal of Liquid Chromatography & Related Technologies. 2014;37(14):2021-2035. doi:10.1080/10826076.2013.825858 .
Đaković-Sekulić, Tatjana, Lozanov-Crvenković, Zagorka, Rančić, Milica, Trišović, Nemanja, Ušćumlić, Gordana, "Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology" in Journal of Liquid Chromatography & Related Technologies, 37, no. 14 (2014):2021-2035, https://doi.org/10.1080/10826076.2013.825858 . .