title: Overcoming the limitations of fragment merging: rescuing a strained merged fragment series targeting Mycobacterium tuberculosis CYP121.
authors.affiliation: Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.
authors.forename: Sean A
authors.initials: SA
authors.lastname: Hudson
authors.forename: Sachin
authors.initials: S
authors.lastname: Surade
authors.forename: Anthony G
authors.initials: AG
authors.lastname: Coyne
authors.forename: Kirsty J
authors.initials: KJ
authors.lastname: McLean
authors.forename: David
authors.initials: D
authors.lastname: Leys
authors.forename: Andrew W
authors.initials: AW
authors.lastname: Munro
authors.forename: Chris
authors.initials: C
authors.lastname: Abell
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry* / Q000378:metabolism; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000378:metabolism; D006860:Hydrogen Bonding; D008024:Ligands; D009169:Mycobacterium tuberculosis / Q000378:metabolism*; D011485:Protein Binding; D014230:Triazoles / Q000737:chemistry
chemical_list: D001426:Bacterial Proteins; D004791:Enzyme Inhibitors; D008024:Ligands; D014230:Triazoles; C464825:cytochrome P-450 CYP121; D003577:Cytochrome P-450 Enzyme System
keywords: conformation analysis; cytochromes; drug discovery; fragment-based; tuberculosis