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

Primer Autor
Farias, Jorge G.
Co-autores
Beltran, Jorge F.
Yanez, Alejandro
Herrera-Belen, Lisandra
Contreras, Fernanda Parraguez
Blanco, Jose A.
Flores-Martin, Sandra N.
Zamorano, Mauricio
Título
Antibiotic discovery against Piscirickettsia salmonis using a combined in silico and in vitro approach
Editorial
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
Revista
MICROBIAL PATHOGENESIS
Lenguaje
en
Resumen
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.
Fecha Publicación
2023
Tipo de Recurso
artículo original
doi
10.1016/j.micpath.2023.106122
Formato Recurso
PDF
Palabras Claves
Piscirickettsia salmonis
Bioinformatics
GyrA
Molecular docking
In vitro
Ubicación del archivo
http://dx.doi.org/10.1016/j.micpath.2023.106122
Categoría OCDE
Inmunología
Microbiología
Materias
Piscirickettsia salmonis
Bioinformática
GyrA
Atraque molecular
in vitro
Identificador del recurso (Mandatado-único)
artículo original
Versión del recurso (Recomendado-único)
versión publicada
Derechos de acceso
metadata
Access Rights
metadata
Id de Web of Science
WOS:000999664900001
ISSN
0882-4010
Tipo de ruta
hibrida
Categoría WOS
Inmunología
Microbiología
Referencia del Financiador (Mandatado si es aplicable-repetible)
ANID-FONDAP 1522A0004
Colecciones
Colección Publicaciones Científicas
Colección ANID
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