Scientific Publications
Super Natural II – A database of natural products.
Nucleic Acids Research, 43, D935-D939
Natural products play a significant role in drug discovery and development. Many topological pharmacophore patterns are shared between natural products and commercial drugs. A better understanding of the specific physicochemical and structural features of natural products is important for corresponding drug development. Several encyclopaedias of natural compounds have been composed, but the information remains scattered or not freely available. The first version of the Supernatural database containing ~50,000 compounds was published in 2006 to face these challenges. Here we present a new, updated and expanded version of the Supernatural database, Super Natural II http://bioinformatics.charite.de/supernatural, comprising ~326,000 molecules. It provides all corresponding 2D structures, the most important structural and physicochemical properties, the predicted toxicity class for ~170,000 compounds and the vendor information for the vast majority of compounds. The new version allows a template based search for similar compounds as well as a search for compound names, vendors, specific physical properties or any substructures. Super Natural II also provides information about the pathways associated with synthesis and degradation of the natural products, as well as their mechanism of action with respect to structurally similar drugs and their target proteins.
Nucleic Acids Research, 43, D935-D939
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