Motivation: Although natural products represent a reservoir of molecular diversity, the process of isolating and identifying active compounds is a bottleneck in drug discovery programs. The rapid isolation and identification of the bioactive component(s) of natural product mixtures during the bioassay-guided fractionation have become crucial factors in the competition with chemical compound libraries and combinatorial synthetic efforts. In this respect, the use of spectral databases in identification processes is indispensable.
Results: We have developed a database containing 13C spectral information of over 6000 natural compounds, which allows for fast identifications of known compounds present in the crude extracts and provides insight into the structural elucidation of unknown compounds.
The data and software displayed in the NAPROC-13 database are freely available with the following conditions:
# No license is needed for academic, nonprofit, and personal use.
# NAPROC-13 is the result of a large collaborative effort among several individuals at the University of Salamanca and at research institutions around the world. In order to acknowledge the scientists and engineers who have contributed to the USAL NAPROC-13 database and its data, and the organizations who have made this project possible through their generous funding, please cite the following reference:
José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23): 3256-3257 (2007)