Lipophilicity assessement in drug discovery: Experimental and theoretical methods applied to xanthone derivatives

• Type: Article in International Scientific Journal
• Date: 2018

Authors

Santos, A (Author) Other; Jose X Soares (Author) Other; Sara Cravo (Author) FFUP; M E Tiritan (Author) FFUP; Salette Reis (Author) FFUP; Carlos Afonso (Author) FFUP; Carla Fernandes (Author) FFUP; Pinto, MMM (Author) Other

Journal

Title: Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences

Vol. 1072

Pages: 182-192

ISSN: 1570-0232

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 27 Citations

Scopus - 27 Citations

Other information

Authenticus ID: P-00N-8R1

DOI: 10.1016/j.jchromb.2017.10.018

Abstract (EN): 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.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 11