title: Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors.
abstract: Replacement of the core heterocycle of a defined series of chromen-4-one DNA-PK inhibitors by the isomeric chromen-2-one (coumarin) and isochromen-1-one (isocoumarin) scaffolds was investigated. Structure-activity relationships for DNA-PK inhibition were broadly consistent, albeit with a reduction of potency compared with the parent chromenone.
authors.affiliation: Northern Institute for Cancer Research, School of Chemistry, Newcastle University, Newcastle Upon Tyne, UK.
authors.forename: Sara L
authors.initials: SL
authors.lastname: Payne
authors.forename: Sonsoles
authors.initials: S
authors.lastname: Rodriguez-Aristegui
authors.forename: Julia
authors.initials: J
authors.lastname: Bardos
authors.forename: Céline
authors.initials: C
authors.lastname: Cano
authors.forename: Bernard T
authors.initials: BT
authors.lastname: Golding
authors.forename: Ian R
authors.initials: IR
authors.lastname: Hardcastle
authors.forename: Marcus
authors.initials: M
authors.lastname: Peacock
authors.forename: Nahida
authors.initials: N
authors.lastname: Parveen
authors.forename: Roger J
authors.initials: RJ
authors.lastname: Griffin
mesh_terms: D000255:Adenosine Triphosphate / Q000378:metabolism*; D000970:Antineoplastic Agents; D001665:Binding Sites; D002867:Chromones; D003374:Coumarins / Q000037:antagonists & inhibitors*; D051747:DNA-Activated Protein Kinase / Q000737:chemistry* / Q000378:metabolism; D006801:Humans; D020128:Inhibitory Concentration 50; D049934:Isocoumarins / Q000037:antagonists & inhibitors*; D013329:Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D002867:Chromones; D003374:Coumarins; D049934:Isocoumarins; D000255:Adenosine Triphosphate; C030123:coumarin; D051747:DNA-Activated Protein Kinase