COCONUT online: Collection of Open Natural Products database

Journal of Cheminformatics

Maria Sorokina¹  Kohulan Rajan¹  Mehmet Aziz Yirik¹  Christoph Steinbeck¹  Peter Merseburger¹ 

[1] Institute for Inorganic and Analytical Chemistry, University Friedrich-Schiller;

关键词: Natural products;    Database;    NoSQL;    MongoDB;    Molecular similarity search;    Molecular substructure search;   

DOI  :  10.1186/s13321-020-00478-9

来源: DOAJ

【 摘 要 】

Abstract Natural products (NPs) are small molecules produced by living organisms with potential applications in pharmacology and other industries as many of them are bioactive. This potential raised great interest in NP research around the world and in different application fields, therefore, over the years a multiplication of generalistic and thematic NP databases has been observed. However, there is, at this moment, no online resource regrouping all known NPs in just one place, which would greatly simplify NPs research and allow computational screening and other in silico applications. In this manuscript we present the online version of the COlleCtion of Open Natural prodUcTs (COCONUT): an aggregated dataset of elucidated and predicted NPs collected from open sources and a web interface to browse, search and easily and quickly download NPs. COCONUT web is freely available at https://coconut.naturalproducts.net .

【 授权许可】

Unknown