Stoica Cristina Ioana, Ionuț Ioana, Vlase Laurian, Tiperciuc Brîndușa, Marc Gabriel, Oniga Smaranda, Araniciu Cătălin, Oniga Ovidiu
Department of Therapeutical Chemistry, Iuliu Haţieganu University of Medicine and Pharmacy, Faculty of Pharmacy, Cluj-Napoca, Romania.
Department of Pharmaceutical Chemistry, Iuliu Haţieganu University of Medicine and Pharmacy, Faculty of Pharmacy, Cluj-Napoca, Romania.
Biomed Chromatogr. 2018 Jul;32(7):e4221. doi: 10.1002/bmc.4221. Epub 2018 Apr 2.
The chromatographic behavior of a series of thiazolyl-1,3,4-oxadiazoles with antifungal activity was studied by reverse-phase thin-layer chromatography (RP-TLC). The lipophilicity parameters derived from RP-TLC were correlated with the data derived from liquid-chromatography mass-spectrometry. Good linear relationships were observed between the chromatographic lipophilicity parameters and the theoretical lipophilicity descriptors (logP) generated by various computer software and internet modules. Principal component analysis, applied on the experimental chromatographic lipophilicity indices and the theoretically calculated logP, enabled us to obtain a lipophilicity chart for better vizualization of the similarities and differences of the investigated compounds, which were grouped by k-means clustering in two congeneric classes.
通过反相薄层色谱法（RP-TLC）研究了一系列具有抗真菌活性的噻唑基-1,3,4-恶二唑的色谱行为。从RP-TLC得到的亲脂性参数与液相色谱-质谱得到的数据相关。观察到色谱亲脂性参数与各种计算机软件和网络模块生成的理论亲脂性描述符（logP）之间存在良好的线性关系。对实验色谱亲脂性指数和理论计算的logP进行主成分分析，使我们能够获得一个亲脂性图表，以便更好地直观显示所研究化合物的异同，这些化合物通过k均值聚类被分为两个同类类别。
