조회수 39
자료실
AI 활용신약DB 상세
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 collection | Count | Description |
---|---|---|
Compounds | Marine natural products | |
Chemical entities | 31 561a | Unique chemical structures |
Compounds with 3D conformers | 25 224 | Filter according to the criteria of PubChem3D conformer models |
Biologically active compounds | 15 774 | Compounds with biological activity data |
Organisms | Source marine organisms | |
Kingdoms | 7 | Taxonomic hierarchy |
Phyla | 38 | Taxonomic hierarchy |
Classes | 93 | Taxonomic hierarchy |
Orders | 289 | Taxonomic hierarchy |
Families | 682 | Taxonomic hierarchy |
Genera | 1480 | Taxonomic hierarchy |
Species | 3354b | Taxonomic hierarchy |
Targets | 2652 | Targets standardized according to ChEMBL target list |
Single proteins | 1122 | Target type |
Cell lines | 923 | Target type |
Organisms | 459 | Target type |
Others | 148 | Target type |
Bioactivities | 72 343 | Biological activity data |
Data in brief | 15 980 | Manual collection from literature |
Standardized experimental data | 56 363 | Incorporation from ChEMBL |
Documents | 128 488 | Scientific literature and patents |
Literature | 119 543 | Literature abstracts/citations |
Patents | 8945 | Patent abstracts/citations |