Natural compound databases | Chemical informatics data analysis
Many natural products have pharmacological or biological activities that can be of therapeutic benefit in treating diseases, and are also an important source of inspiration for development of potential novel drugs. The past few decades have witnessed extensive study of natural products for their promising prospects in application of medicinal chemistry, molecular biology and pharmaceutical sciences.
A curated and fully-referenced database containing compound information for 600 natural products extracted directly from journal articles, book chapters and theses. There is a web interface to the database, which is simple and easy to use, while allowing for compounds to be searched by a number of different criteria. Being fully referenced, each compound page contains links to the original referenced work from which the information was obtained. Further, SANCDB provides a submission pipeline, allowing researchers to deposit compounds from their own research into the database.
Modernizes and standardizes Traditional Chinese Medicine (TCM). TCMID gathers data such as prescription ingredients and mass spectrometry (MS) spectra aiming to promote the TCM applications worldwide and be a resource for systemic TCM researches. The database is composed of about 47 000 prescriptions, 8 200 herbs, 43 500 ingredients and concerns about 4 700 diseases.
Contains about 621 herbs, 4,060 compounds, 2,163 targets and 210 diseases, among which most of herbs can be applied into gerontology therapy including inflammation, cardiovascular disease and neurodegenerative disease. CEMTDD displays networks for intricate relationships between Chinese Ethnic Minority Traditional Drugs (CEMTDs) and treated diseases, as well as the interrelations between active compounds and action targets, which may shed new light on the combination therapy of CEMTDs and further understanding of their herb molecular mechanisms for better modernized utilizations of CEMTDs, especially in gerontology.
Consists of “drug-like” and diverse collection of 3D structures of natural products (NPs) covering the geographical region of the African continent. AfroDb can be useful in virtual screening campaigns. It provides information about physico-chemical properties for each natural product and can serve for the assessment of ‘‘drug-likeness’’. This platform eases the drug discovery process from leads that have been identified from African medicinal plants.
An open-access knowledge base for community-wide organization and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. GNPS provides a community-led knowledge space in which NP data can be shared, analyzed, and annotated by researchers worldwide. It enables a cycle of annotation in which users curate data, continuous dereplication enables product identification, and a knowledge base of reference spectral libraries and public data sets is created.
Covers all plant triterpene biosynthesis enzymes biochemically characterized. TriForC database contains about 270 enzymes from 70 different plant species that are able to catalyse over 700 reactions. It provides a browser that allows users to query directly for enzymes and obtains all the corresponding enzymatic reactions together with the respective substrates and products on the same web page and displayed in an interactive way.