TY  - JOUR
AU  - Vastag, Gyongyi
AU  - Apostolov, Suzana
AU  - Mijin, Dušan
AU  - Grbović, Ljubica
AU  - Kaurinović, Biljana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4318
AB  - Selected chemometric methods were used to form models that define the qualitative and quantitative dependence between the chemical structure and the parameters of potential biological activity (lipophilicity, retention, pharmacokinetic, and toxic properties) of the selected diphenylacetamide derivatives. The chromatographic retention parameters of the selected diphenylacetamides were determined by applying reversed-phase thin-layer chromatography (RPTLC) on C18 and cyano modified carriers in mixtures of water-methanol and water-acetone. It was found that the polarity of the substituent R has dominant influence and its electronic effects to a lesser extent, on the studied parameters of the biological activity of diphenylacetamides. Also, results suggest a better similarity of the retention constants, R-M(0), with parameters of lipophilicity and pharmacokinetic predictors. Contrary to that, chromatographic parameter, m, exhibits a greater resemblance with toxicity parameters.
PB  - Wiley, Hoboken
T2  - Journal of Chemometrics
T1  - Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides
IS  - 2
VL  - 33
DO  - 10.1002/cem.3091
ER  - 

@article{
author = "Vastag, Gyongyi and Apostolov, Suzana and Mijin, Dušan and Grbović, Ljubica and Kaurinović, Biljana",
year = "2019",
abstract = "Selected chemometric methods were used to form models that define the qualitative and quantitative dependence between the chemical structure and the parameters of potential biological activity (lipophilicity, retention, pharmacokinetic, and toxic properties) of the selected diphenylacetamide derivatives. The chromatographic retention parameters of the selected diphenylacetamides were determined by applying reversed-phase thin-layer chromatography (RPTLC) on C18 and cyano modified carriers in mixtures of water-methanol and water-acetone. It was found that the polarity of the substituent R has dominant influence and its electronic effects to a lesser extent, on the studied parameters of the biological activity of diphenylacetamides. Also, results suggest a better similarity of the retention constants, R-M(0), with parameters of lipophilicity and pharmacokinetic predictors. Contrary to that, chromatographic parameter, m, exhibits a greater resemblance with toxicity parameters.",
publisher = "Wiley, Hoboken",
journal = "Journal of Chemometrics",
title = "Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides",
number = "2",
volume = "33",
doi = "10.1002/cem.3091"
}

Vastag, G., Apostolov, S., Mijin, D., Grbović, L.,& Kaurinović, B.. (2019). Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides. in Journal of Chemometrics
Wiley, Hoboken., 33(2).
https://doi.org/10.1002/cem.3091

Vastag G, Apostolov S, Mijin D, Grbović L, Kaurinović B. Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides. in Journal of Chemometrics. 2019;33(2).
doi:10.1002/cem.3091 .

Vastag, Gyongyi, Apostolov, Suzana, Mijin, Dušan, Grbović, Ljubica, Kaurinović, Biljana, "Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides" in Journal of Chemometrics, 33, no. 2 (2019),
https://doi.org/10.1002/cem.3091 . .