NuBBE

Welcome to NuBBE, a biochemical knowledge graph containing hundreds of chemical compounds from brazilian biodiversity.

NuBBE 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. NuBBE 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), pharmacological and spectroscopic data (molar mass and nuclear magnetic resonance). 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.