New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase

[Display omitted] Previously we have reported on a series of pyridine-3-carboxamide inhibitors of DNA gyrase and DNA topoisomerase IV that were designed using a computational de novo design approach and which showed promising antibacterial properties. Herein we describe the synthesis of additional e...

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Bibliographic Details
Published in:Bioorganic & medicinal chemistry 2019-08, Vol.27 (16), p.3546-3550
Main Authors: Narramore, Sarah, Stevenson, Clare E.M., Maxwell, Anthony, Lawson, David M., Fishwick, Colin W.G.
Format: Article
Language:English
Subjects:
DNA Gyrase - genetics
Escherichia coli - metabolism
Models, Molecular
Structure-Activity Relationship
Topoisomerase II Inhibitors - pharmacology
Topoisomerase II Inhibitors - therapeutic use
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Summary:[Display omitted] Previously we have reported on a series of pyridine-3-carboxamide inhibitors of DNA gyrase and DNA topoisomerase IV that were designed using a computational de novo design approach and which showed promising antibacterial properties. Herein we describe the synthesis of additional examples from this series aimed specifically at DNA gyrase, along with crystal structures confirming the predicted mode of binding and in vitro ADME data which describe the drug-likeness of these compounds.
ISSN:0968-0896
1464-3391
DOI:10.1016/j.bmc.2019.06.015