title: Probing linker design in citric acid-ciprofloxacin conjugates.
abstract: A series of structurally related citric acid-ciprofloxacin conjugates was synthesised to investigate the influence of the linker between citric acid and ciprofloxacin on antibacterial activities. Minimum inhibitory concentrations (MICs) were determined against a panel of reference strains and clinical isolates of bacteria associated with infection in humans and correlated with the DNA gyrase inhibitory activity. The observed trend was rationalised by computational modelling.
authors.affiliation: Department of Chemistry, University of York, Heslington, York YO10 5DD, UK.
authors.forename: Stephen J
authors.initials: SJ
authors.lastname: Milner
authors.affiliation: Bradford Infection Group, University of Bradford, Bradford BD7 1DP, UK.
authors.forename: Anna M
authors.initials: AM
authors.lastname: Snelling
authors.affiliation: Department of Microbiology, Fewston Wing, Harrogate District Hospital, Harrogate HG2 7SX, UK; Department of Biology (Area 10), University of York, Heslington, York YO10 5DD, UK; Hull York Medical School, Heslington, York YO10 5DD, UK.
authors.forename: Kevin G
authors.initials: KG
authors.lastname: Kerr
authors.affiliation: Department of Chemistry, University of York, Heslington, York YO10 5DD, UK; Department of Biology (Area 10), University of York, Heslington, York YO10 5DD, UK.
authors.forename: Ahmad
authors.initials: A
authors.lastname: Abd-El-Aziz
authors.affiliation: Department of Biology (Area 10), University of York, Heslington, York YO10 5DD, UK.
authors.forename: Gavin H
authors.initials: GH
authors.lastname: Thomas
authors.affiliation: Department of Chemistry, University of York, Heslington, York YO10 5DD, UK; Vernalis (R&D) Ltd, Granta Park, Cambridge CB21 6GB, UK.
authors.forename: Roderick E
authors.initials: RE
authors.lastname: Hubbard
authors.affiliation: Department of Chemistry, University of York, Heslington, York YO10 5DD, UK. Electronic address: anne.routledge@york.ac.uk.
authors.forename: Anne
authors.initials: A
authors.lastname: Routledge
authors.affiliation: Department of Chemistry, University of York, Heslington, York YO10 5DD, UK. Electronic address: anne.duhme-klair@york.ac.uk.
authors.forename: Anne-Kathrin
authors.initials: AK
authors.lastname: Duhme-Klair
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects; D002939:Ciprofloxacin / Q000737:chemistry* / Q000494:pharmacology*; D019343:Citric Acid / Q000737:chemistry* / Q000494:pharmacology; D027081:DNA Gyrase / Q000378:metabolism; D004305:Dose-Response Relationship, Drug; D015195:Drug Design; D006801:Humans; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D059005:Topoisomerase II Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000900:Anti-Bacterial Agents; D059005:Topoisomerase II Inhibitors; D019343:Citric Acid; D002939:Ciprofloxacin; D027081:DNA Gyrase
keywords: Antibiotic; Citrate; Computational modelling; Siderophore