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• W2044608049 startingPage "1169" @default.
• W2044608049 abstract "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 ChemGPS-NP principle analysis to analyze a set of 40 antitrypanosomal natural products for their drug like properties and chemical space. The analyses identified 16 chemical clusters with 11 well positioned within drug-like chemical space. This study demonstrated that our combined analysis can be used as an important strategy for prioritization of active marine natural products for further investigation." @default.
• W2044608049 created "2016-06-24" @default.
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• W2044608049 date "2014-03-04" @default.
• W2044608049 modified "2023-09-26" @default.
• W2044608049 title "Chemoinformatic Analysis as a Tool for Prioritization of Trypanocidal Marine Derived Lead Compounds" @default.
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• W2044608049 doi "https://doi.org/10.3390/md12031169" @default.
• W2044608049 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3967203" @default.
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