ArticleNucleic acids research2018
NPASS: natural product activity and species source database for natural product research, discovery and tool development.
Article in Nucleic acids research, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 111 papers.
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111 citing papers in PubMed.
- Hinokitiol as a Potential GPX4 Allosteric Modulator to Prevent Ferroptosis-mediated Neurodegeneration in Parkinson's Disease.Neurochemical research · 2026Article
- Molecular Docking of Natural Products: Critical Appraisal of Current Methodology and Practical Guidelines.Molecules (Basel, Switzerland) · 2026Review
- Mass spectrometry-based metabolomics approaches to interrogate host-microbiome interactions in mammalian systems.Natural product reports · 2026Review
- Structural determination of natural products at speeds and scale of high-throughput screening.Natural product reports · 2026Review
- Nature meets machine: the AI renaissance in natural product drug discovery.Natural products and bioprospecting · 2026Review
- Integrated Computer-Aided Drug Design: Advances in GPCR Natural Ligand Discovery.Cell biochemistry and biophysics · 2026Review
- Conformational dynamics and binding free energy analyses unveil a stable flavonoid inhibitor of dengue virus NS5 polymerase.Scientific reports · 2026Article
- Artificial Intelligence for Natural Products Drug Discovery in Neurodegenerative Therapies: A Review.Biomolecules · 2026Review
- MetabFlow: a comprehensive metabolic map for exogenous natural products.Nucleic acids research · 2026Article
- NPASS database update 2026: comprehensive quantitative composition, bioactivity, and ADME-Tox data of natural products for biomedical research.Nucleic acids research · 2026Article
- Article
- Artificial intelligence and machine learning for precision prevention of cognitive decline: integrating multimodal biomarkers, lifestyle interventions, and natural medicines from prediction to clinical practice.Frontiers in aging neuroscience · 2026Review
- Ligand-Based Pharmacophore Mapping and Virtual Screening for the Search of Biguanide-Like Molecules With Antidiabetic Potentials Targeting Liver Kinase B1.Biochemistry research international · 2026Article
- Conocarpan and Eupomatenoid-6 as Natural Prototypes for Antituberculosis Compounds.International journal of microbiology · 2026Article
- Computational framework for minimizing off-target toxicity in capecitabine treatment using natural compounds.Molecular diversity · 2025Article
- Machine learning-guided in Silico identification of Na⁺-NQR inhibitors from Berberis vulgaris and Hydrastis Canadensis phytochemicals against Vibrio cholerae.Scientific reports · 2025Article
- Chemical Language Model Linker: Blending Text and Molecules with Modular Adapters.Journal of chemical information and modeling · 2025Article
- Identification of herbal medicine species of Lysimachia L. (Primulaceae) in Southern China using genome skimming.BMC plant biology · 2025Article
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- Cancer chemoprevention: signaling pathways and strategic approaches.Signal transduction and targeted therapy · 2025Review
51 more citing papers are in PubMed but not listed here.
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Authors and funding
14 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
There has been renewed interests in the exploration of natural products (NPs) for drug discovery, and continuous investigations of the therapeutic claims and mechanisms of traditional and herbal medicines. In-silico methods have been employed for facilitating these studies. These studies and the optimization of in-silico algorithms for NP applications can be facilitated by the quantitative activity and species source data of the NPs. A number of databases collectively provide the structural and other information of ∼470 000 NPs, including qualitative activity information for many NPs, but only ∼4000 NPs are with the experimental activity values. There is a need for the activity and species source data of more NPs. We therefore developed a new database, NPASS (Natural Product Activity and Species Source) to complement other databases by providing the experimental activity values and species sources of 35 032 NPs from 25 041 species targeting 5863 targets (2946 proteins, 1352 microbial species and 1227 cell-lines). NPASS contains 446 552 quantitative activity records (e.g. IC50, Ki, EC50, GI50 or MIC mainly in units of nM) of 222 092 NP-target pairs and 288 002 NP-species pairs. NPASS, http://bidd2.nus.edu.sg/NPASS/, is freely accessible with its contents searchable by keywords, physicochemical property range, structural similarity, species and target search facilities.
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