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[논문] CMNPD: a comprehensive marine natural products database 2024-12-01
조회수 39

본 DB에서는 해당 논문의 원본데이터 및 이를 활용한 다른 논문의 전처리 데이터의 정보를 제공하고 있습니다.

원저작물에 대한 권리는 해당 연구자 및 기관에 있습니다.


Marine organisms are expected to be an important source of inspiration for drug discovery after terrestrial plants and microorganisms. Despite the remarkable progress in the field of marine natural products (MNPs) chemistry, there are only a few open access databases dedicated to MNPs research. To meet the growing demand for mining and sharing for MNPs-related data resources, we developed CMNPD, a comprehensive marine natural products database based on manually curated data. CMNPD currently contains more than 31 000 chemical entities with various physicochemical and pharmacokinetic properties, standardized biological activity data, systematic taxonomy and geographical distribution of source organisms, and detailed literature citations. It is an integrated platform for structure dereplication (assessment of novelty) of (marine) natural products, discovery of lead compounds, data mining of structure-activity relationships and investigation of chemical ecology. Access is available through a user-friendly web interface at https://www.cmnpd.org. We are committed to providing a free data sharing platform for not only professional MNPs researchers but also the broader scientific community to facilitate drug discovery from the ocean.


Data collectionCountDescription
Compounds
Marine natural products
Chemical entities31 561aUnique chemical structures
Compounds with 3D conformers25 224Filter according to the criteria of PubChem3D conformer models
Biologically active compounds15 774Compounds with biological activity data
Organisms
Source marine organisms
Kingdoms7Taxonomic hierarchy
Phyla38Taxonomic hierarchy
Classes93Taxonomic hierarchy
Orders289Taxonomic hierarchy
Families682Taxonomic hierarchy
Genera1480Taxonomic hierarchy
Species3354bTaxonomic hierarchy
Targets2652Targets standardized according to ChEMBL target list
Single proteins1122Target type
Cell lines923Target type
Organisms459Target type
Others148Target type
Bioactivities72 343Biological activity data
Data in brief15 980Manual collection from literature
Standardized experimental data56 363Incorporation from ChEMBL
Documents128 488Scientific literature and patents
Literature119 543Literature abstracts/citations
Patents8945Patent abstracts/citations