SUBSTITUENT EFFECTS ON CHROMATOGRAPHIC RETENTION DATA OF 5-ARYLIDENE-2,4-THIAZOLIDINEDIONES IN QSAR METHODOLOGY

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 inhibitor...

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Bibliographic Details
Published in:Journal of liquid chromatography & related technologies 2014-08, Vol.37 (14), p.2021-2035
Main Authors: Djakovic-Sekulic, Tatjana, Lozanov-Crvenkovic, Zagorka, Rancic, Milica, Trisovic, Nemanja, Uscumlic, Gordana
Format: Article
Language:English
Subjects:
5-arylidene-2,4-thiazolidinediones
Analogies
Chromatography
Correlation
inhibitory activity
Liquid chromatography
Mass spectrometry
Mathematical models
Methodology
MLR
molecular descriptors
PCA
QSAR/QSRR
Regression
Retention
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Summary: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.
ISSN:1082-6076
1520-572X
DOI:10.1080/10826076.2013.825858