Structure dereplication bioactive natural product

There are numerous natural product databases that are used in dereplication such as Chemical Abstracts Service (CAS), Berdy s Bioactive Natural Products Database, Dictionary of Natural Products, MarinLit23 and AntiBase.24 Integration of structure-based and chemical shift searches, such as NAPROC-13,25 make these databases even more valuable. AntiMarin is a result of a recent merger between AntiBase and MarinLit 26 MarinLit and AntiMarin are the first commercially available databases that contain structural information (functional groups) as searchable fields.27... 

There are four major elements in the design of any successful natural-products-based drug discovery program acquisition of biomass, effective screening, bioactivity-driven fractionation, and rapid and effective structure elucidation (which includes dereplication). Although some of these have been mentioned earlier, it is instructive to bring them together here. 

The methodologies involved in our search for DNA-damaging natural products with potential ariticancer activity include extraction, bioassay, bioactivity-guided fractionation, dereplication, structure elucidation and structure-activity relationship (SAR) studies. In this section the general methodologies used by us for extraction, mechanism-based yeast bioassay and bioactivity-guided fractionation will be... 

The isolation and purification of a bioactive compound is a rate-limiting step in a natural products chemistry project, and significant improvement in this area is urgently needed. We have approached this problem with a view toward exploring the application of sophisticated modern scientific instruments. Our goal was to develop a process that is not only capable of effective fractionation, but also yields sufficient quantities necessary for structure elucidation and extensive biological evaluation. In addition, the process would allow us to distinguish between known and new compounds (dereplication) at an earlier phase of the project. 

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