Estimation of lipophilicity and design of new 17β-carboxamide glucocorticoids using RP-HPLC and quantitative structure-retention relationships analysis
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Приказ свих података о документуАпстракт
Eight 17b-carboxamide glucocorticoids with local anti-inflammatory activity were selected and their retention behavior tested in six RP-HPLC systems (I–VI). logkw, a, and 40 parameters were calculated and correlation with previously determined logPo/w values was examined. RP-HPLC system IV, which consisted of cyano column and methanol–water mobile phases (50:50, 60:40, 70:30, and 80:20, v/v), was selected as the most reliable for lipophilicity prediction and used for the analysis of chromatographic behavior of remaining fourteen 17b-carboxamide glucocorticoids. Quantitative structure-retention re- lationships analysis was performed and PLS(logkw) model was selected as the most statistically sig- nificant. On the basis of selected model and interpretation of corresponding descriptors, new derivatives with higher logkw values and higher expected lipophilicity were designed.
Кључне речи:
17β-carboxamide glucocorticoids / drug design / lipophilicity / QSRRИзвор:
Acta Chromatographica, 2022, 34, 2, 130-137Издавач:
- Akademiai Kiado ZRt.
Финансирање / пројекти:
DOI: 10.1556/1326.2021.00893
ISSN: 1233-2356
WoS: 000694011000003
Scopus: 2-s2.0-85129811958
Институција/група
PharmacyTY - JOUR AU - Dobričić, Vladimir AU - Bošković, Jelena AU - Vukadinović, Dragana AU - Vladimirov, Sote AU - Čudina, Olivera PY - 2022 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4110 AB - Eight 17b-carboxamide glucocorticoids with local anti-inflammatory activity were selected and their retention behavior tested in six RP-HPLC systems (I–VI). logkw, a, and 40 parameters were calculated and correlation with previously determined logPo/w values was examined. RP-HPLC system IV, which consisted of cyano column and methanol–water mobile phases (50:50, 60:40, 70:30, and 80:20, v/v), was selected as the most reliable for lipophilicity prediction and used for the analysis of chromatographic behavior of remaining fourteen 17b-carboxamide glucocorticoids. Quantitative structure-retention re- lationships analysis was performed and PLS(logkw) model was selected as the most statistically sig- nificant. On the basis of selected model and interpretation of corresponding descriptors, new derivatives with higher logkw values and higher expected lipophilicity were designed. PB - Akademiai Kiado ZRt. T2 - Acta Chromatographica T1 - Estimation of lipophilicity and design of new 17β-carboxamide glucocorticoids using RP-HPLC and quantitative structure-retention relationships analysis VL - 34 IS - 2 SP - 130 EP - 137 DO - 10.1556/1326.2021.00893 ER -
@article{ author = "Dobričić, Vladimir and Bošković, Jelena and Vukadinović, Dragana and Vladimirov, Sote and Čudina, Olivera", year = "2022", abstract = "Eight 17b-carboxamide glucocorticoids with local anti-inflammatory activity were selected and their retention behavior tested in six RP-HPLC systems (I–VI). logkw, a, and 40 parameters were calculated and correlation with previously determined logPo/w values was examined. RP-HPLC system IV, which consisted of cyano column and methanol–water mobile phases (50:50, 60:40, 70:30, and 80:20, v/v), was selected as the most reliable for lipophilicity prediction and used for the analysis of chromatographic behavior of remaining fourteen 17b-carboxamide glucocorticoids. Quantitative structure-retention re- lationships analysis was performed and PLS(logkw) model was selected as the most statistically sig- nificant. On the basis of selected model and interpretation of corresponding descriptors, new derivatives with higher logkw values and higher expected lipophilicity were designed.", publisher = "Akademiai Kiado ZRt.", journal = "Acta Chromatographica", title = "Estimation of lipophilicity and design of new 17β-carboxamide glucocorticoids using RP-HPLC and quantitative structure-retention relationships analysis", volume = "34", number = "2", pages = "130-137", doi = "10.1556/1326.2021.00893" }
Dobričić, V., Bošković, J., Vukadinović, D., Vladimirov, S.,& Čudina, O.. (2022). Estimation of lipophilicity and design of new 17β-carboxamide glucocorticoids using RP-HPLC and quantitative structure-retention relationships analysis. in Acta Chromatographica Akademiai Kiado ZRt.., 34(2), 130-137. https://doi.org/10.1556/1326.2021.00893
Dobričić V, Bošković J, Vukadinović D, Vladimirov S, Čudina O. Estimation of lipophilicity and design of new 17β-carboxamide glucocorticoids using RP-HPLC and quantitative structure-retention relationships analysis. in Acta Chromatographica. 2022;34(2):130-137. doi:10.1556/1326.2021.00893 .
Dobričić, Vladimir, Bošković, Jelena, Vukadinović, Dragana, Vladimirov, Sote, Čudina, Olivera, "Estimation of lipophilicity and design of new 17β-carboxamide glucocorticoids using RP-HPLC and quantitative structure-retention relationships analysis" in Acta Chromatographica, 34, no. 2 (2022):130-137, https://doi.org/10.1556/1326.2021.00893 . .