Natural Products Atlas
Natural Products Atlas provides a curated database of 24,594 microbial natural product structures to support computational characterization and identification of microbially produced compounds.
Key Features:
- Comprehensive Database: Contains 24,594 microbial natural product structures curated via manual efforts and automated data mining from journal articles and international patents.
- Data Enrichment: Entries include compound names, source organisms, isolation references, reported total syntheses, and instances of structural reassignment.
- Structure and Property Search: Indexed for structure and substructure searching and for queries by physical properties.
- Chemical Space Visualization: Provides visualization tools for exploring natural products chemical space and structural diversity.
- Database Integration: Integrated with the MIBiG repository and the GNPS platform to enhance interoperability with biosynthetic gene cluster and molecular networking resources.
- FAIR Principles: Developed according to the FAIR principles (Findable, Accessible, Interoperable, Reusable) for data management and reuse.
Scientific Applications:
- Computational method development: Enables development and benchmarking of algorithms for characterization of complex natural product libraries.
- Data interoperability: Facilitates linking natural product structural data with biosynthetic gene cluster and molecular networking resources.
- Structural characterization: Accelerates structural assignment and reassessment by centralizing reported structures, syntheses, and references.
Methodology:
Entries assembled from journal articles and international patents via manual curation and automated data mining; structures indexed for structure/substructure and physical-property search, visualized in chemical-space tools, and linked to MIBiG and GNPS.
Topics
Details
- Tool Type:
- web application
- Added:
- 1/14/2020
- Last Updated:
- 1/4/2021
Operations
Publications
van Santen JA, Jacob G, Singh AL, Aniebok V, Balunas MJ, Bunsko D, Neto FC, Castaño-Espriu L, Chang C, Clark TN, Cleary Little JL, Delgadillo DA, Dorrestein PC, Duncan KR, Egan JM, Galey MM, Haeckl FJ, Hua A, Hughes AH, Iskakova D, Khadilkar A, Lee J, Lee S, LeGrow N, Liu DY, Macho JM, McCaughey CS, Medema MH, Neupane RP, O’Donnell TJ, Paula JS, Sanchez LM, Shaikh AF, Soldatou S, Terlouw BR, Tran TA, Valentine M, van der Hooft JJJ, Vo DA, Wang M, Wilson D, Zink KE, Linington RG. The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery. ACS Central Science. 2019;5(11):1824-1833. doi:10.1021/acscentsci.9b00806. PMID:31807684. PMCID:PMC6891855.