Repositorio
Institucional

Farias, Jorge G.

Beltran, Jorge F.

Yanez, Alejandro

Herrera-Belen, Lisandra

Contreras, Fernanda Parraguez

Blanco, Jose A.

Flores-Martin, Sandra N.

Zamorano, Mauricio

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

ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD

MICROBIAL PATHOGENESIS

en

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.

2023

artículo original

10.1016/j.micpath.2023.106122

PDF

Piscirickettsia salmonis

Bioinformatics

GyrA

Molecular docking

In vitro

Inmunología

Microbiología

Piscirickettsia salmonis

Bioinformática

GyrA

Atraque molecular

in vitro

artículo original

versión publicada

metadata

metadata

WOS:000999664900001

0882-4010

hibrida

Inmunología

Microbiología

ANID-FONDAP 1522A0004