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
Funding: - Universidad Catolica de Santa Maria, Peru: 27499-R-2020, 7309-CU-2020 - Universidad Catolica de Santa Maria: 28048-R-2021