PeruNPDB
PeruNPDB provides a curated database of 280 natural products from Peruvian flora and fauna to support chemoinformatics analyses and early-stage drug discovery.
Key Features:
- Extensive Collection: The initial release contains 280 natural compounds, approximately 95% originating from plants and 5% from animals.
- Chemoinformatic Evaluation: Includes detailed assessments of chemical space coverage, physicochemical properties, and overall chemical diversity.
Scientific Applications:
- Drug Discovery: Supports virtual screening campaigns and early-stage identification of potential therapeutic agents against biological targets.
- Biodiversity and Ethnopharmacology: Serves as a resource for studying Peru's megadiversity, endemic species, and ethnopharmacological practices.
- Comparative Studies: Enables comparison of Peruvian natural products with collections from Mexico, Brazil, India, and China to assess global natural product diversity.
Methodology:
Assembly and curation involved data collection and validation, followed by evaluation of chemical space coverage and physicochemical properties.
Topics
Details
- Cost:
- Free of charge
- Tool Type:
- web application
- Operating Systems:
- Mac, Linux, Windows
- Added:
- 11/7/2023
- Last Updated:
- 11/24/2024
Operations
Publications
Barazorda-Ccahuana HL, Ranilla LG, Candia-Puma MA, Cárcamo-Rodriguez EG, Centeno-Lopez AE, Davila-Del-Carpio G, Medina-Franco JL, Chávez-Fumagalli MA. PeruNPDB: the Peruvian Natural Products Database for in silico drug screening. Scientific Reports. 2023;13(1). doi:10.1038/s41598-023-34729-0. PMID:37165197. PMCID:PMC10170056.
PMID: 37165197
PMCID: PMC10170056
Funding: - Universidad Catolica de Santa Maria, Peru: 27499-R-2020, 7309-CU-2020
- Universidad Catolica de Santa Maria: 28048-R-2021