Virtual Screening Assisted Search for Inhibitors of the Translocated Intimin Receptor of Enteropathogenic Escherichia Coli

Author:

Pylkkö Tuomas1,Tomašič Tihomir2,Poso Antti3,Tammela Päivi1ORCID

Affiliation:

1. Drug Research Program Faculty of Pharmacy University of Helsinki P.O. Box 56 00014 Helsinki Finland

2. Department of Pharmaceutical Chemistry Faculty of Pharmacy University of Ljubljana Aškerčeva cesta 7 1000 Ljubljana Slovenia

3. School of Pharmacy Faculty of Health Sciences University of Eastern Finland P.O. Box 1627 70211 Kuopio Finland

Abstract

AbstractThis study aimed to identify inhibitors of the translocated intimin receptor (Tir) of enteropathogenic Escherichia coli (EPEC). EPEC is an intestinal pathogen that causes diarrhea and is a major health concern worldwide. Because Tir is a key virulence factor involved in EPEC pathogenesis, inhibiting its function is a potential strategy for controlling EPEC infections. Virtual screening was applied to chemical libraries to search for compounds that inhibit Tir‐mediated bacterial adherence to host cells. Three sites were targeted using the cocrystal structure published earlier. A selection of compounds was then assessed in a cell‐based infection model and fluorescence microscopy assay. The results of this study provide a basis for further optimization and testing of Tir inhibitors as potential therapeutic agents for EPEC infections.

Publisher

Wiley

Subject

Organic Chemistry,Molecular Biology,Molecular Medicine,Biochemistry

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