Exploring the chemical space of Strychnos species through a multi-informative molecular network

Abstract

In the field of metabolomics, chemometrics is a domain in constant evolution. These last years, innovative techniques such as molecular networking have particularly been applied to the field of medicinal plants. As part of the ERDF project called “Tropical Plant Factory”, we apply this technique to the study of the monoterpene indole alkaloids (MIA) from plants of the genus Strychnos (Loganiaceae), largely studied in the University of Liège, but which still reserve us many surprises. Forty-four extracts of Strychnos were profiled by LC-ESI-Q-TOF MS/MS. The resulting MS/MS data were pre-processed using “MZmine 2” and were organized as a single molecular network using the GNPS online platform. The molecular network was mapped with the “Cytoscape” software. Thanks to the implementation of a specific database on the GNPS online platform (the so-called MIADB, which includes Strychnos compounds from our laboratory), the known metabolites were directly identified, allowing comparison of alkaloid composition of the investigated species and giving new insights in their composition. So, in the continuation of this work, by analyzing the molecular network, the interesting species will be highlighted, and the unknown metabolites will be targeted during the bioassay-guided fractionation. This technique could be an efficient time saving and cost-effective method for the detection of new interesting compounds in natural resources