2. Academic Validation
  3. Antibiotic discovery against Piscirickettsia salmonis using a combined in silico and in vitro approach

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

  • Microb Pathog. 2023 Apr 22;106122. doi: 10.1016/j.micpath.2023.106122.
Jorge F Beltrán 1,  Alejandro Yáñez 2,  Lisandra Herrera-Belén 3,  Fernanda Parraguez Contreras 1,  José A Blanco 4,  Sandra N Flores-Martin 4,  Mauricio Zamorano 1,  Jorge G Farias 5
Affiliations

Affiliations

  • 1 Department of Chemical Engineering, Faculty of Engineering and Science, University of La Frontera, Ave. Francisco Salazar 01145, Temuco, Chile.
  • 2 Facultad de Ciencias, Universidad Austral de Chile, Valdivia, Chile; Interdisciplinary Center for Aquaculture Research, Concepción, Chile.
  • 3 Departamento de Ciencias Básicas, Facultad de Ciencias, Universidad Santo Tomas, Chile.
  • 4 Facultad de Ciencias, Universidad Austral de Chile, Valdivia, Chile.
  • 5 Department of Chemical Engineering, Faculty of Engineering and Science, University of La Frontera, Ave. Francisco Salazar 01145, Temuco, Chile. Electronic address: [email protected].
PMID: 37094756 DOI: 10.1016/j.micpath.2023.106122
Abstract

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.

Keywords

Bioinformatics; GyrA; In vitro; Molecular docking; Piscirickettsia salmonis.

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