The DOI matches its Crossref record; 38 of the 38 references it cites were found in a registry or an index.
Novel Chemical Space Exploration via Natural Products
Open accessAbstract
Natural products (NPs) are a rich source of novel compound classes and new drugs. In the present study we have used the chemical space navigation tool ChemGPS-NP to evaluate the chemical space occupancy by NPs and bioactive medicinal chemistry compounds from the database WOMBAT. The two sets differ notably in coverage of chemical space, and tangible leadlike NPs were found to cover regions of chemical space that lack representation in WOMBAT. Property based similarity calculations were performed to identify NP neighbors of approved drugs. Several of the NPs revealed by this method were confirmed to exhibit the same activity as their drug neighbors. The identification of leads from a NP starting point may prove a useful strategy for drug discovery in the search for novel leads with unique properties.
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Cites
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Virtual Computational Chemistry Laboratory – Design and Description
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Cited by
Reymond, J.-L. (2015) · Accounts of Chemical Research · doi:10.1021/ar500432k · Cited by 720
Natural product isolation – how to get from biological material to pure compounds
Bucar, F., Wube, A., & Schmid, M. (2013) · Natural Product Reports · doi:10.1039/c3np20106f · Cited by 373
The spinosyn family of insecticides: realizing the potential of natural products research
Kirst, H. A. (2010) · The Journal of Antibiotics · doi:10.1038/ja.2010.5 · Cited by 349
Enzymatic fluorination and biotechnological developments of the fluorinase
O’Hagan, D., & Deng, H. (2015) · Chemical Reviews · doi:10.1021/cr500209t · Cited by 331
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Self-citation
Metadata
- Authors
- Rosén, J., Gottfries, J., Muresan, S., Backlund, A., & Oprea, T. I.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-03-06
- Volume
- 52
- Issue
- 7
- Pages
- 1953-1962
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W1990555250
- Cited by
- 280
- References
- 38
- FWCI
- 19.64
- Type
- journal article
- Language
- en
- Open access
- green
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- Rosén, J., Gottfries, J., Muresan, S., Backlund, A., & Oprea, T. I. (2009). Novel Chemical Space Exploration via Natural Products. Journal of Medicinal Chemistry. https://doi.org/10.1021/jm801514w
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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