Lipophilicity study of ursodeoxycholic acid
DOI:
https://doi.org/10.12923/j.2084-980X/25.1/a.06Słowa kluczowe:
lipophilicity, ursodeoxycholic acid, RP-TLC, RP-HPTLC, bile acids, cluster analysisAbstrakt
In this work, the researchers determined the chromatographic parameter of the lipophilicity (RMW) of ursodeoxycholic acid under various chromatographic conditions, and using the RP-TLC and RP-HPTLC methods. This chromatographic analysis was performed on different glass and aluminum plates (RP-18F254, RP-18WF254 and on RP-2F254), with the use of a mixture of various organic modifiers (methanol, acetone or dioxane) and water, in respective volume compositions. The results of these chromatographic investigations (RMW values) were compared with the partition coefficient (logP) obtained by way of the use of several theoretical methods (expressed as: AlogPs, logPKOWWIN, xlogP2, xlogP3, milogP, AlogP, and MlogP) and with the experimental logP (logPexp), respectively. The similarity between the chromatographically determined and computational calculated parameters of lipophilicity shows the possibility of applying both the chromatographic and theoretical methods to predict the lipophilicity value of ursodeoxycholic acid. The further direction of this study will be towards the application of the obtained lipophilicity parameters of examined bile acid in SAR studies (structure-activity relationships).
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Prawa autorskie (c) 2012 Autorzy
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