X-ray crystallographic structure of a teixobactin analogue reveals key interactions of the teixobactin pharmacophore

H Yang; D R Du Bois; J W Ziller; J S Nowick

doi:10.1039/c7cc00783c

X-ray crystallographic structure of a teixobactin analogue reveals key interactions of the teixobactin pharmacophore

Chem Commun (Camb). 2017 Feb 28;53(18):2772-2775. doi: 10.1039/c7cc00783c.

Authors

H Yang¹, D R Du Bois¹, J W Ziller¹, J S Nowick¹

Affiliation

¹ Department of Chemistry, University of California, Irvine, Irvine, California 92697-2025, USA. jsnowick@uci.edu.

Abstract

The X-ray crystallographic structure of a truncated teixobactin analogue reveals hydrogen-bonding and hydrophobic interactions and a cavity that binds a chloride anion. Minimum inhibitory concentration (MIC) assays against Gram-positive bacteria correlate the observed structure with antibiotic activity.

MeSH terms

Anti-Bacterial Agents / chemistry*
Anti-Bacterial Agents / pharmacology
Binding Sites
Chlorides / chemistry*
Crystallography, X-Ray
Depsipeptides / chemistry*
Depsipeptides / pharmacology
Gram-Positive Bacteria / drug effects
Hydrogen Bonding
Hydrophobic and Hydrophilic Interactions
Microbial Sensitivity Tests
Models, Molecular
Molecular Structure
Structure-Activity Relationship

Substances

Anti-Bacterial Agents
Chlorides
Depsipeptides
teixobactin

Grants and funding

R21 AI121548/AI/NIAID NIH HHS/United States