Please use this identifier to cite or link to this item:
https://hdl.handle.net/10216/120438
Author(s): | Santos Á. Soares J.X. Cravo S. Tiritan M.E. Reis S. Afonso C. Fernandes C. Pinto M.M.M. |
Title: | Lipophilicity assessement in drug discovery: Experimental and theoretical methods applied to xanthone derivatives |
Publisher: | Elsevier |
Issue Date: | 2018 |
Abstract: | For the last several years, searching of new xanthone derivatives (XDs) with potential pharmacological activities has remained one of the main areas of interest of our group. The optimization of biological activity and drug-like properties of hits and leads is crucial at early stage of the drug discovery pipeline. Lipophilicity is one of the most important drug-like properties having a great impact in both pharmacokinetics and pharmacodynamics processes. In this work, we describe the lipophilicity of a small library of bioactive XDs, previously synthesized by our group, using different methods: computational, vortex-assisted liquid–liquid microextraction coupled with high-performance liquid chromatography (VALLME-HPLC), reversed-phase high-performance thin layer chromatography (RP-HPTLC), reversed-phase high-performance liquid chromatography (RP-HPLC), and biomembrane model by the partition between micelles and aqueous phase. The different results obtained by the used methods were compared and discussed. The methodologies and data gathered in this study will expand the investigation of lipophilicity of XDs, an important class of compounds in medicinal chemistry. © 2017 Elsevier |
Subject: | Bioactivity Chromatography High performance liquid chromatography Liquids Pharmacodynamics Thin layer chromatography Biomembrane models Lipophilicity RP-HPLC RP-HPTLC VALLME-HPLC Liquid chromatography octanol xanthone derivative xanthone derivative aqueous solution Article biological activity biomembrane chemical analysis clinical assessment comparative study controlled study drug structure drug synthesis high performance liquid chromatography high performance thin layer chromatography lipophilicity liquid phase microextraction medicinal chemistry micelle molecular library physical chemistry priority journal reversed phase high performance liquid chromatography vortex motion chemical phenomena chemistry drug development procedures reversed phase liquid chromatography Chromatography, High Pressure Liquid Chromatography, Reverse-Phase Drug Discovery Hydrophobic and Hydrophilic Interactions Xanthones |
URI: | https://hdl.handle.net/10216/120438 |
Source: | Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences, vol. 1072, p. 182-192 |
Related Information: | info:eu-repo/grantAgreement/FCT/5876/147268/PT |
Document Type: | Artigo em Revista Científica Internacional |
Rights: | restrictedAccess |
Appears in Collections: | CIIMAR - Artigo em Revista Científica Internacional |
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