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ACD/Labs Collaboration Provides NMR Data to Brazilian Biodiversity Natural Products Database

The NuBBE database (NuBBEDB) has been expanded to include predicted NMR data from ACD/Labs in support of research for the development of new drugs from natural products and sustainability of Brazilian biodiversity

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ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, is delighted to announce a collaboration with researchers at the Núcleo de Bioensaios Biossíntese e Ecofisiologia de Produtos Naturais (NuBBE). ACD/NMR Predictors were chosen by the group to populate their Brazilian biodiversity natural products database (NuBBEDB) with predicted nuclear magnetic resonance (NMR) data.

ACD/Labs technology enabled automatic prediction of 1H and 13C spectra, using their industry-leading NMR prediction tools, for compounds already in the database and for new compounds as they are added in future. The NMR data is provided as searchable information—peak lists and coupling constants. “We chose the ACD/Labs software because it has reliable, robust algorithms, and accurate predictions,” says Vanderlan da Silva Bolzani, project coordinator.

“We are happy to support academic research with our technology,” says Dimitris Argyropoulos, NMR business manager at ACD/Labs. “Academic research is fueling and supporting commercial R&D more and more these days. With the majority of prescribed medicines still derived from natural compounds, and Brazil considered to have the greatest biodiversity of any country on the planet, the NuBBEDB will be a valuable resource for scientists investigating compounds for new medicines. I hope the NMR data our software is providing will help natural products researchers to more quickly identify and characterize novel chemical scaffolds in their search for the therapies of tomorrow.”

The NuBBEDB was established in 2013, by a group of academic Brazilian natural products researchers, as a library of 640 compounds extracted and isolated from Brazilian plants (80%); fungi or microorganisms (6%); semi-synthetic and synthetic compounds inspired by natural products (13%); and biotransformation products (2%). The content of the database continues to be expanded to include more information and to serve as a rich knowledgebase for drug discovery, metabolomics, and plant science research. One central nervous system acting compound from the database is already patented for treatment of Alzheimer’s disease. Access the NuBBEDB at www.nubbe.iq.unesp.br.

Advanced Chemistry Development, Inc. is an informatics company that develops and commercializes solutions in support of R&D. Our software is used in many industries including pharma/biotech, chemicals, consumer goods, agrochemicals, petrochemicals, food and beverage, academia, and government organizations. We provide integration with existing informatics systems and enterprise-level automation; with sales and support offices worldwide. For more information, please visit www.acdlabs.com. Follow us on Twitter @ACDLabs.

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