The combination of hyphenated techniques may increase the efficiency and speed of analysis, being useful tools to access unrevealed natural products (NPs), which include molecular dereplication1. In this sense, our goal is the employing of integrated analytical techniques to accelerate the discovery of metabolites (unknown or not) from Myrsine guianensis (Aubl.) Kuntze. (MG), bioguided by anti-leukemia assays. For this purpose, an extensive literature survey was performed for the 131 species belonging to Myrsine genus for creating a in-house database to be used in Target Analysys (Figure 1A). Besides that, mass spectra obtained in our experiments were processed in the GNPS platform (Figure 1B). Target analysis suggestedd the presence of myrsinoic acids A, B, C, E and F in all extracts, being A the major constituent, along with 5-O-embelin and rapanone already described in Myrsine genus have been also detected. In addition of flavonoids and myrsinosides not associated to the species. Furthermore, through GNPS it was possible to group their spectra comprising the fragmentation beyond the suggestion of the pheophorbide A. On the other hand, the cytotoxic assays (during 48 hours at 100 μg/mL) indicated that Kasumi-1 and Jurkat cell lines were sensitive to the fractions from M. guianensis (Figure 1C), revealing that is possible to establish integrated chemical and biological approaches for discovering unknown cytotoxic specialized metabolites.

Figure 1 - Base Peak Chromathogram (BPC’s) of all extracts processed on Target Analisys software (1A); Clusters of mass spectra organized on the GNPS platform representing fragments and adducts of detected compounds (1B); Cell viability of 10 prepared extracts of M. guianensis under the cell lines Jukart and Kasumi-1 treated during 48h at 100μg/mL.

Ref. 1Carvalho, A.; Rodrigues, L.; Ribeiro, A.; Silva, M.; Medeiros, L.; Veiga, T. Integrated Analytical Tools for Accessing Acridones and Unrelated Phenylacrylamides from Swinglea glutinosa. Molecules 2020, 25, 153 2 Van Herwerden, Eric F.; Süssmuth, Roderich D. Sources for Leads: Natural products and libraries. In: New Approaches to Drug Discovery. Springer International Publishing, 2015. p. 91-12

Acknowledgments
FAPESP (2018/04095-0) and CAPES.