BrNPDB

Welcome to BrNPDB, a database and knowledge graph containing hundreds of secondary metabolites from the Brazilian biodiversity.

BrNPDB is an attractive source of information for the scientific community of natural products and medicinal chemistry. It enables studies on naturally occurring bioactive compounds, molecular and physicochemical properties, database generation, virtual screening, dereplication, metabolomics, and for the design and synthesis of bioactive compounds. BrNPDB knowledge graph contains a variety of natural products isolated from Braziian Biodiversity and provides information on Chemical (metabolic class, chemical structure, physicochemical properties, common and IUPAC name and molecular mass), biological (species, geographic location, biological activities) and pharmacological data. This is also an effort to make natural products accessible for virtual screening in the academic community, with the 3D structure format compatible with the most widely used docking programs.

The current BrNPDB team includes Prof. Marilia Valli (University of Sao Paulo), Prof. Vanderlan S. Bolzani (Sao Paulo State University), Prof. Alan Pilon (Sao Paulo State University), Fillipe Alfredo Neves (TT-IV Fapesp), Mateus Henrique Bernabe (TT-IV Fapesp), Livia Mendes Campos (University of Sao Paulo), Thainan Luiz Nunes de Oliveira (Estácio de Sá University), Dr. Edgard Marx (Leipzig University of Applied Sciences), Stefan Schmidt-Dichte (Leipzig University of Applied Sciences), Istvan J. Mocsy (Leipzig University of Applied Sciences).

Historic background

BrNPDB is based on the previous NuBBE DB (Nuclei of Bioassays, Biosynthesis and Ecophysiology of Natural Products Database), conceived by Prof. Vanderlan S. Bolzani (Sao Paulo State University), Marilia Valli (University of Sao Paulo), Prof. Adriano D. Andricopulo (University of Sao Paulo), Ricardo N. Santos (University of Sao Paulo) and Leandro D. Figueira (Sao Paulo State University), as the result of a successful collaboration between research groups. The 640 compounds that originated the first version of the database were the work of NuBBE researchers: Alberto Cavalheiro, Angela Regina Araujo, Dulce Helena Siqueira Silva, Ian Castro-Gamboa, Marcia Nasser, Maysa Furlan, and Vanderlan da Silva Bolzani. The compilation of the data was done by specialized curators. A second version of the database expanded to 2223 natural products and counted with the collaboration of CNPq and the CAS/ACS team. An RDF version of the database was created with the collaboration of researchers of the Leipzig University of Applied Sciences leaded by Prof. Thomas Riechert and Dr. Edgard Marx. BrNPDB/NuBBE DB is also part of the Latin American Natural Product database (LANaPDB), a collaboration with Prof. Jose Luis Medina-Franco (Universidad Nacional Autónoma de México)

Previous curators include: Meri Emili Ferreira Pinto, Alessandra Dametto, Helena Mannochio Russo, Natália Felix Alves, Cintia Hiromi Nakajima, Thais Kuriki Kovacs, Bianca Luany da Cunha, Luisa Bortoletto Cossulin, Henrique Teles, Andrés Felipe Torres Peña, Letícia Cristina Vieira Atanázio, members of the CAS/ACS team.