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Application of TLC to Evaluate the Lipophilicity of Newly Synthesized Betulin Derivatives.
Journal of Chromatographic Science ( IF 1.5 ) Pub Date : 2020-04-23 , DOI: 10.1093/chromsci/bmz117
Ewa Bębenek 1 , Katarzyna Bober-Majnusz 2 , Szymon Siudak 3 , Elwira Chrobak 1 , Monika Kadela-Tomanek 1 , Joanna Wietrzyk 4 , Stanisław Boryczka 1
Affiliation  

Designing a new drug has recently become a very important topic that many researches are concerned with. This work relates to a newly synthesized betulin and betulone derivatives which have anticancer activity. Thin-layer chromatography was applied to evaluate the lipophilicity of these triterpenes in order to find the correlation between theoretically and experimentally calculated values of lipophilicity and the structure of compounds investigated. Moreover, the relationships between lipophilicity and pharmacokinetic parameters or anticancer activity were carried out. The similarity analysis was also done for the purpose to divide the compounds investigated into groups pointing which of these can meet the criteria for medicine substances. The cluster analysis showed the differences in the compounds grouping in relation which the values of lipophilicity are considered, i.e., calculated by computer software or obtained experimentally by use of TLC. Analysis clearly shows that those theoretically calculated values of lipophilicity are strongly connected to the structure of the compounds.

中文翻译:

TLC在评估新合成的桦木衍生物的亲脂性中的应用。

最近,设计新药已成为许多研究关注的重要课题。这项工作涉及具有抗癌活性的新合成的桦木素和倍他隆衍生物。薄层色谱法用于评估这些三萜的亲脂性,以发现亲脂性的理论和实验计算值与所研究化合物的结构之间的相关性。此外,进行了亲脂性与药代动力学参数或抗癌活性之间的关系。还进行了相似性分析,目的是将所研究的化合物分为几类,指出其中哪些化合物可以满足药物标准。聚类分析表明,考虑到亲脂性的值,即通过计算机软件计算或通过使用TLC实验获得的值,在化合物分组中存在差异。分析清楚地表明,亲脂性的理论计算值与化合物的结构密切相关。
更新日期:2020-01-15
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