Antibiotic discovery against Piscirickettsia salmonis using a combined in silico and in vitro approach.

Jorge F Beltrán, Alejandro Yáñez, Lisandra Herrera-Belén, Fernanda Parraguez Contreras, José A Blanco, Sandra N Flores-Martin, Mauricio Zamorano, Jorge G Farias

Microbial pathogenesis 2023 Jul

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Piscirickettsia salmonis is one of the main pathogens causing considerable economic losses in salmonid farming. The DNA gyrase of several pathogenic bacteria has been the target of choice for antibiotic design and discovery for years, due to its key function during DNA replication. In this study, we carried out a combined in silico and in vitro approach to antibiotic discovery targeting the GyrA subunit of Piscirickettsia salmonis. The in silico results of this work showed that flumequine (-6.6 kcal/mol), finafloxacin (-7.2 kcal/mol), rosoxacin (-6.6 kcal/mol), elvitegravir (-6.4 kcal/mol), sarafloxacin (-8.3 kcal/mol), orbifloxacin (-7.9 kcal/mol), and sparfloxacin (-7.2 kcal/mol) are docked with good affinities in the DNA binding domain of the Piscirickettsia salmonis GyrA subunit. In the in vitro inhibition assay, it was observed that most of these molecules inhibit the growth of Piscirickettsia salmonis, except for elvitegravir. We believe that this methodology could help to significantly reduce the time and cost of antibiotic discovery trials to combat Piscirickettsia salmonis within the salmonid farming industry. Copyright © 2023 Elsevier Ltd. All rights reserved.

Citation

Jorge F Beltrán, Alejandro Yáñez, Lisandra Herrera-Belén, Fernanda Parraguez Contreras, José A Blanco, Sandra N Flores-Martin, Mauricio Zamorano, Jorge G Farias. Antibiotic discovery against Piscirickettsia salmonis using a combined in silico and in vitro approach. Microbial pathogenesis. 2023 Jul;180:106122