Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology
Authorized Users Only
MetadataShow full item record
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-thiazolidinediones
Source:Journal of Liquid Chromatography & Related Technologies, 2014, 37, 14, 2021-2035
- Taylor & Francis Inc, Philadelphia
Funding / projects: