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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
High performance liquid chromatography
Thin layer chromatography
Biomembrane models
Liquid chromatography
xanthone derivative
xanthone derivative
aqueous solution
biological activity
chemical analysis
clinical assessment
comparative study
controlled study
drug structure
drug synthesis
high performance liquid chromatography
high performance thin layer chromatography
liquid phase microextraction
medicinal chemistry
molecular library
physical chemistry
priority journal
reversed phase high performance liquid chromatography
vortex motion
chemical phenomena
drug development
reversed phase liquid chromatography
Chromatography, High Pressure Liquid
Chromatography, Reverse-Phase
Drug Discovery
Hydrophobic and Hydrophilic Interactions
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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