authors
Jonathan Bisson
,
James McAlpine
,
J. Brent Friesen
,
Shao-Nong Chen
,
James Graham
,
Guido F. Pauli
journal Journal of Medicinal Chemistry
subjects Pharmacognosy Phytochemistry Perspectives Fundamental research IMP bioactivity data mining NAPRALERT
High-throughput biology has contributed a wealth of data on chemicals, including natural products (NPs). Recently, attention was drawn to certain, predominantly synthetic, compounds that are responsible for disproportionate percentages of hits but are false actives. Spurious bioassay interference led to their designation as pan-assay interference compounds (PAINS). NPs lack comparable scrutiny, which this study aims to rectify. Systematic mining of 80+ years of the phytochemistry and biology literature, using the NAPRALERT database, revealed that only 39 compounds represent the NPs most reported by occurrence, activity, and distinct activity.
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journal Journal of Medicinal Chemistry
subjects Pharmacognosy Phytochemistry Perspectives Fundamental research IMP bioactivity data mining NAPRALERT