SistematX, an online web-based cheminformatics tool for data management of secondary metabolites

The traditional work of a natural products researcher consists in large part of time-consuming experimental work, collecting biata to prepare and analyze extracts and to identify innovative metabolites. However, along this long scientific path, much information is lost or restricted to a specific niche. The SistematX homepage is http://sistematx.ufpb.br, and the interface is implemented considering the following aspects: a) the ability to search by structure, SMILES (Simplified Molecular-Input Line-Entry System) code, compound name and species; b) the ability to save chemical structures found by searching; c) compound data results include important characteristics for natural products chemistry; and d) the user can find specific information for taxonomic rank (from family to species) of the plant from which the compound was isolated, the searched-for molecule, and the bibliographic reference and Global Positioning System (GPS) coordinates. The SistematX homepage allows the user to log into the data management area using a login name and password and gain access to administration pages. ln this article, we introduced a modem and innovative web interface for the management of a secondary metabolite database. With its multiplatform design, it is able to be properly consulted via the internet and managed from any accredited computer. The interface provided by SistematX contains a wealth of useful information for the scientific community about natural products, highlighting the locations of species from which compounds are isolated.