Chemoinformatic Analysis as a Tool for Prioritization of Trypanocidal Marine Derived Lead Compounds

Marine trypanocidal natural products are, most often, reported with trypanocidal activity and selectivity against human cell lines. The triaging of hits requires a consideration of chemical tractability for drug development. We utilized a combined Lipinski’s rule-of-five, chemical clustering and Che...

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Autors principals:	Yunjiang Feng, Marc Campitelli, Rohan A. Davis, Ronald J. Quinn
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2014-03-01
Col·lecció:	Marine Drugs
Matèries:	trypanosomiasis marine natural products chemical clustering ChemGPS-NP drug-like physicochemical properties
Accés en línia:	http://www.mdpi.com/1660-3397/12/3/1169
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