Pangenome guided pharmacophore modelling of enterohemorrhagic Escherichia coli sdiA [version 1; peer review: 1 approved with reservations, 1 not approved]

Abstract

© 2019 Bandoy DD. Enterohemorrhagic Escherichia coli (EHEC) continues to be a significant public health risk. With the onset of next generation sequencing, whole genome sequences are a potential resource for predictive modelling of the different regulatory mechanism of pathogens, particularly quorum sensing. We used a pangenome approach to determine EHEC genome clustering, determine the synonymous and nonsynonymous mutations across the EHEC sdiA and modelled the associated amino acid changes. Across the EHEC population, nonsynonymous variants are notably absent in ligand binding site for quorum sensing, indicating that population wide conservation of sdiA ligand site can be targeted for potential prophylactic purposes. Applying pathotype-wide pangenomics as a guide for determining evolution of pharmacophore sites is a potential approach in drug discovery.

Source or Periodical Title

F1000Research

ISSN

20461402

Document Type

Article

Subject

EHEC, Escherichia coli, Pangenome, Pharmacophore

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