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Natural Products Repository of Costa Rica (NAPRORE-CR): An Open-Access Database
Daniel A Acuña-Jiménez1, Jose Rodríguez-Zúñiga2, Daniela Gutiérrez-Ramírez2
1DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Avenida Universidad 3000, Mexico City 04510, México.
Journal of Chemical Information and Modeling
|September 18, 2025
Summary
Costa Rica
Area of Science:
- Natural product chemistry
- Bioinformatics
- Drug discovery
Background:
- Natural products are vital sources of bioactive compounds for drug discovery, cosmetics, and pesticides.
- Costa Rica is a global biodiversity hotspot, making it a rich source for novel natural products.
- Existing databases lack comprehensive collections of natural products specifically from Costa Rica.
Purpose of the Study:
- To establish the Natural Products Repository of Costa Rica (NAPRORE-CR), a dedicated database for natural products from Costa Rica.
- To compile structural data and predicted properties of these compounds.
- To assess their potential applications in various industries.
Main Methods:
- Compilation of 1161 natural products from Costa Rica.
- Annotation with structural classifications and physicochemical properties (e.g., MW, HBD, HBA, RB, AlogP, TPSA).
- Calculation of complex descriptors (e.g., SA score, QED, nSPS) and comparison with drugs, pesticides, and cosmetics.
- Cross-referencing with PubChem and ChEMBL for activity prediction.
Main Results:
- NAPRORE-CR version 1 contains 1161 compounds with diverse structural and physicochemical properties.
- Compounds exhibit property profiles suitable for drug discovery, cosmetic, and natural pesticide applications.
- Structural similarity was observed between NAPRORE-CR compounds and existing drugs and natural pesticides.
- Potential new applications were identified through activity prediction.
Conclusions:
- NAPRORE-CR is the first database of its kind for Costa Rican natural products, supporting open science and FAIR data principles.
- The repository's compounds show significant potential for diverse industrial applications.
- NAPRORE-CR serves as a valuable resource for identifying novel bioactive compounds and guiding future research.
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