Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology
Само за регистроване кориснике
2014
Аутори
Đaković-Sekulić, TatjanaLozanov-Crvenković, Zagorka
Rančić, Milica
Trišović, Nemanja
Ušćumlić, Gordana
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
MLR / QSAR/QSRR / PCA / molecular descriptors / inhibitory activity / 5-arylidene-2,4-thiazolidinedionesИзвор:
Journal of Liquid Chromatography & Related Technologies, 2014, 37, 14, 2021-2035Издавач:
- Taylor & Francis Inc, Philadelphia
Финансирање / пројекти:
- Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (RS-MESTD-Basic Research (BR or ON)-172013)
DOI: 10.1080/10826076.2013.825858
ISSN: 1082-6076
WoS: 000334067600008
Scopus: 2-s2.0-84898062058
Институција/група
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 . .