药物发现
化学空间
产品(数学)
计算生物学
计算机科学
高通量筛选
化学信息学
生化工程
化学
作者
Christopher C. Thornburg,John R. Britt,Jason R. Evans,Rhone K. Akee,James A. Whitt,Spencer K. Trinh,Matthew J Harris,Jerell R. Thompson,Teresa L. Ewing,Suzanne M. Shipley,Paul G. Grothaus,David Newman,Joel P. Schneider,Tanja Grkovic,Barry R. O’Keefe
标识
DOI:10.1021/acschembio.8b00389
摘要
The US National Cancer Institute’s (NCI) Natural Product Repository is one of the world’s largest, most diverse collections of natural products containing over 230,000 unique extracts derived from plant, marine, and microbial organisms that have been collected from biodiverse regions throughout the world. Importantly, this national resource is available to the research community for the screening of extracts and the isolation of bioactive natural products. However, despite the success of natural products in drug discovery, compatibility issues that make extracts challenging for liquid handling systems, extended timelines that complicate natural product-based drug discovery efforts and the presence of pan-assay interfering compounds have reduced enthusiasm for the high-throughput screening (HTS) of crude natural product extract libraries in targeted assay systems. To address these limitations, the NCI Program for Natural Product Discovery (NPNPD), a newly launched, national program to advance natural product discovery technologies and facilitate the discovery of structurally defined, validated lead molecules ready for translation will create a prefractionated library from over 125,000 natural product extracts with the aim of producing a publicly-accessible, HTS-amenable library of >1,000,000 fractions. This library, representing perhaps the largest accumulation of natural-product based fractions in the world, will be made available free of charge in 384-well plates for screening against all disease states in an effort to reinvigorate natural product-based drug discovery.
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