Correlation Between Structure, Retention and Lipophilicity of Some Antidepressants: QSRR and QSAR Studies
Apstrakt
The objectives of this study were to gain insights into the structure-retention and structure-lipophilicity relationships of series of twenty antidepressants and to propose model for estimating their retention and lipophilicity. The lipophilicity of antidepressants has been determined by reversed-phase thin-layer chromatography using binary methanol-water mobile phases. The chemical structures of the antidepressants have been characterized by molecular descriptors which are calculated from the structure and related to the chromatographic retention parameters as well as chromatographically determinated lipophilicity parameters by multiple linear regression analysis. The obtained models were used for interpretation of the lipophilicity and retention behavior of the investigated compounds.
Ključne reči:
Antidepressants / Lipophilicity / QSAR / QSRR / Reversed-phase thin layer chromatographyIzvor:
Letters in Drug Design and Discovery, 2014, 11, 2, 162-168Izdavač:
- Bentham Science Publ Ltd, Sharjah
Finansiranje / projekti:
- Korelacija strukture i osobina prirodnih i sintetičkih molekula i njihovih kompleksa sa metalima (RS-172017)
Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Perušković, Danica S. AU - Stevanović, Nikola R. AU - Lolić, Aleksandar AU - Baošić, Rada PY - 2014 UR - https://cherry.chem.bg.ac.rs/handle/123456789/1508 AB - The objectives of this study were to gain insights into the structure-retention and structure-lipophilicity relationships of series of twenty antidepressants and to propose model for estimating their retention and lipophilicity. The lipophilicity of antidepressants has been determined by reversed-phase thin-layer chromatography using binary methanol-water mobile phases. The chemical structures of the antidepressants have been characterized by molecular descriptors which are calculated from the structure and related to the chromatographic retention parameters as well as chromatographically determinated lipophilicity parameters by multiple linear regression analysis. The obtained models were used for interpretation of the lipophilicity and retention behavior of the investigated compounds. PB - Bentham Science Publ Ltd, Sharjah T2 - Letters in Drug Design and Discovery T1 - Correlation Between Structure, Retention and Lipophilicity of Some Antidepressants: QSRR and QSAR Studies VL - 11 IS - 2 SP - 162 EP - 168 UR - https://hdl.handle.net/21.15107/rcub_cherry_1508 ER -
@article{ author = "Perušković, Danica S. and Stevanović, Nikola R. and Lolić, Aleksandar and Baošić, Rada", year = "2014", abstract = "The objectives of this study were to gain insights into the structure-retention and structure-lipophilicity relationships of series of twenty antidepressants and to propose model for estimating their retention and lipophilicity. The lipophilicity of antidepressants has been determined by reversed-phase thin-layer chromatography using binary methanol-water mobile phases. The chemical structures of the antidepressants have been characterized by molecular descriptors which are calculated from the structure and related to the chromatographic retention parameters as well as chromatographically determinated lipophilicity parameters by multiple linear regression analysis. The obtained models were used for interpretation of the lipophilicity and retention behavior of the investigated compounds.", publisher = "Bentham Science Publ Ltd, Sharjah", journal = "Letters in Drug Design and Discovery", title = "Correlation Between Structure, Retention and Lipophilicity of Some Antidepressants: QSRR and QSAR Studies", volume = "11", number = "2", pages = "162-168", url = "https://hdl.handle.net/21.15107/rcub_cherry_1508" }
Perušković, D. S., Stevanović, N. R., Lolić, A.,& Baošić, R.. (2014). Correlation Between Structure, Retention and Lipophilicity of Some Antidepressants: QSRR and QSAR Studies. in Letters in Drug Design and Discovery Bentham Science Publ Ltd, Sharjah., 11(2), 162-168. https://hdl.handle.net/21.15107/rcub_cherry_1508
Perušković DS, Stevanović NR, Lolić A, Baošić R. Correlation Between Structure, Retention and Lipophilicity of Some Antidepressants: QSRR and QSAR Studies. in Letters in Drug Design and Discovery. 2014;11(2):162-168. https://hdl.handle.net/21.15107/rcub_cherry_1508 .
Perušković, Danica S., Stevanović, Nikola R., Lolić, Aleksandar, Baošić, Rada, "Correlation Between Structure, Retention and Lipophilicity of Some Antidepressants: QSRR and QSAR Studies" in Letters in Drug Design and Discovery, 11, no. 2 (2014):162-168, https://hdl.handle.net/21.15107/rcub_cherry_1508 .