# Natural Products Repository of Costa Rica (NAPRORE-CR): An Open-Access Database

## TL;DR

NAPRORE-CR is a new open-access database compiling natural products from Costa Rica with predicted properties and potential applications in drugs, cosmetics, and pesticides.

## Contribution

The first open-access database of natural products from Costa Rica with structural and physicochemical annotations and chemical space analysis.

## Key findings

- NAPRORE-CR contains 1161 compounds with structural and physicochemical properties.
- The compounds in NAPRORE-CR are structurally similar to approved drugs and pesticides.
- The database identifies potential new applications for natural products through cross-referencing and activity predictions.

## Abstract

Natural products
are outstanding sources of bioactive compounds
with potential applications not only in drug discovery, but also in
the cosmetic industry and natural pesticides. Costa Rica is among
the most biologically diverse countries in terms of the number of
known species per unit of area, even above conventionally considered
megadiverse countries. In this work, we introduce the Natural Products
Repository of Costa Rica (NAPRORE-CR), the first dedicated database
that compiles structural representations and predicted properties
of natural products found and/or characterized in Costa Rica. The
first version of this collection comprises 1161 compounds, annotated
with structural classifications, calculated structural and physicochemical
properties (MW, HBD, HBA, RB, AlogP, and TPSA), and complex descriptors
(SA score, QED, nSPS). The diversity and chemical space coverage of
compounds in NAPRORE-CR were compared to drugs, pesticides, and cosmetics.
Through the analysis and visualization of chemical space coverage
and diversity, it was found that NAPRORE-CR has a property profile
compatible with applications in all three fields and that its compounds
are structurally similar to those of approved drugs and natural pesticides.
Cross-referencing NAPRORE-CR with PubChem and ChEMBL, combined with
activity predictions, facilitated the identification of both known
applications of the included compounds and potential new areas of
study. In favor of open science and FAIR principles for data sharing,
NAPRORE-CR is freely available at 10.5281/zenodo.7858061.