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Tytuł:
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Quantitative structure-retention relationship of selected imidazoline derivatives on α1-acid glycoprotein column.
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Autorzy:
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Filipic S; University of Belgrade, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Vojvode Stepe 450, 11000 Belgrade, Serbia. Electronic address: .
Ruzic D; University of Belgrade, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Vojvode Stepe 450, 11000 Belgrade, Serbia.
Vucicevic J; University of Belgrade, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Vojvode Stepe 450, 11000 Belgrade, Serbia.
Nikolic K; University of Belgrade, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Vojvode Stepe 450, 11000 Belgrade, Serbia.
Agbaba D; University of Belgrade, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Vojvode Stepe 450, 11000 Belgrade, Serbia.
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Źródło:
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Journal of pharmaceutical and biomedical analysis [J Pharm Biomed Anal] 2016 Aug 05; Vol. 127, pp. 101-11. Date of Electronic Publication: 2016 Mar 03.
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Typ publikacji:
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Journal Article
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Język:
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English
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Imprint Name(s):
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Publication: <2006->: London : Elsevier Science
Original Publication: Oxford ; New York : Pergamon Press, c1983-
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MeSH Terms:
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Models, Chemical*
Quantitative Structure-Activity Relationship*
Chromatography, High Pressure Liquid/*methods
Imidazolines/*chemistry
Orosomucoid/*chemistry
Pharmaceutical Preparations/*chemistry
2-Propanol/chemistry ; Linear Models ; Molecular Structure ; Protein Binding
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Contributed Indexing:
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Keywords: Imidazoline derivatives; Linear solvation energy relationships; Quantitative structure-retention relationships; α(1)-Acid glycoprotein
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Substance Nomenclature:
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0 (Imidazolines)
0 (Orosomucoid)
0 (Pharmaceutical Preparations)
ND2M416302 (2-Propanol)
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Entry Date(s):
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Date Created: 20160313 Date Completed: 20170515 Latest Revision: 20170515
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Update Code:
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20240104
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DOI:
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10.1016/j.jpba.2016.02.053
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PMID:
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26968888
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The retention behaviour of 22 selected imidazoline drugs and derivatives was investigated on α1-acid glycoprotein (AGP) column using Sørensen phosphate buffer (pH 7.0) and 2-propanol as organic modifier. Quantitative Structure-Retention Relationships (QSRR) models were built using extrapolated logkw values as well as isocratic retention factors (logk5, logk8, logk10, logk12, logk15 obtained for 5%, 8%, 10%, 12%, and 15%, of 2-propanol in mobile phase, respectively) as dependant variables and calculated physicochemical parameters as independant variables. The established QSRR models were built by stepwise multiple linear regression (MLR) and partial least squares regression (PLS). The performance of the stepwise and PLS models was tested by cross-validation and the external test set prediction. The validated QSRR models were compared and the optimal PLS-QSRR model for logkw and each isocratic retention factors (PLS-QSRR(logk5), PLS-QSRR(logk8), PLS-QSRR(logk10), MLR-QSRR(logk12), MLR-QSRR(logk15)) were selected. The QSRR results were further confirmed by Linear Solvation Energy Relationships (LSER). LSER analysis indicated on hydrogen bond basicity, McGowan volume and excess molar refraction as the most significant parameters for all AGP chromatographic retention factors and logkw values of 22 selected imidazoline drugs and derivatives.
(Copyright © 2016 Elsevier B.V. All rights reserved.)
