J 2023

Determination and Kinetic Characterization of a New Potential Inhibitor for AmsI Protein Tyrosine Phosphatase from the Apple Pathogen <i>Erwinia amylovora</i>

ALBANI, Simone; Ivan POLSINELLI; Luca MAZZEI; Francesco MUSIANI; Stefano BENINI et al.

Základní údaje

Originální název

Determination and Kinetic Characterization of a New Potential Inhibitor for AmsI Protein Tyrosine Phosphatase from the Apple Pathogen <i>Erwinia amylovora</i>

Autoři

ALBANI, Simone; Ivan POLSINELLI; Luca MAZZEI; Francesco MUSIANI a Stefano BENINI

Vydání

Blood Cells, Molecules and Diseases, Orlando, Florida, Academic Press, 2023, 1079-9796

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10608 Biochemistry and molecular biology

Stát vydavatele

Švýcarsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

Impakt faktor

Impact factor: 2.100

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:90127/23:00139193

Organizační jednotka

CIISB II

DOI

UT WoS

EID Scopus

Klíčová slova anglicky

Erwinia amylovora; fire blight; amylovoran; exopolysaccharide; EPS production regulation; molecular docking; in vitro assays; virtual screening; protein tyrosine phosphatase; inhibition constant

Štítky

Příznaky

Mezinárodní význam, Recenzováno
Změněno: 28. 3. 2025 11:22, Mgr. Eva Dubská

Anotace

V originále

Erwinia amylovora is a Gram-negative bacterium, responsible for the fire blight disease in Rosaceae plants. Its virulence is correlated with the production of an exopolysaccharide (EPS) called amylovoran, which protects the bacterium from the surrounding environment and helps its diffusion inside the host. Amylovoran biosynthesis relies on the expression of twelve genes clustered in the ams operon. One of these genes, amsI, encodes for a Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP) called EaAmsI, which plays a key role in the regulation of the EPS production pathway. For this reason, EaAmsI was chosen in this work as a target for the development of new antibacterial agents against E. amylovora. To achieve this aim, a set of programs (DOCK6, OpenEye FRED) was selected to perform a virtual screening using a database of ca. 700 molecules. The six best-scoring compounds identified were tested in in vitro assays. A complete inhibition kinetic characterization carried out on the most promising molecule (n-Heptyl beta-D-glucopyranoside, N7G) showed an inhibition constant of 7.8 +/- 0.6 mu M. This study represents an initial step towards the development of new EaAmsI inhibitors able to act as antibacterial agents against E. amylovora infections.

Návaznosti

90127, velká výzkumná infrastruktura
Název: CIISB II