title: A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK).
abstract: Molecular modeling and phosphorylation assay in vitro were employed to select a novel unsaturated 1,3-dihydroxyisobutenyl thymine derivative 6 as ligand for HSV-1 TK which may be of interest as lead for the development of an positron emission tomography (PET) imaging agent. Compound 6 was successfully prepared using modified approaches. A significant improvement over the syntheses involving pathways A and B (1% and 3% overall yield, respectively), was observed using synthetic route C (14% overall yield).
authors.affiliation: Department of Organic Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, HR-10000 Zagreb, Croatia.
authors.forename: Svjetlana
authors.initials: S
authors.lastname: Krištafor
authors.forename: Ivana
authors.initials: I
authors.lastname: Novaković
authors.forename: Tatjana
authors.initials: T
authors.lastname: Gazivoda Kraljević
authors.forename: Sandra
authors.initials: S
authors.lastname: Kraljević Pavelić
authors.forename: Pero
authors.initials: P
authors.lastname: Lučin
authors.forename: Yvonne
authors.initials: Y
authors.lastname: Westermaier
authors.forename: Lucile
authors.initials: L
authors.lastname: Pernot
authors.forename: Leonardo
authors.initials: L
authors.lastname: Scapozza
authors.forename: Simon M
authors.initials: SM
authors.lastname: Ametamey
authors.forename: Silvana
authors.initials: S
authors.lastname: Raić-Malić
mesh_terms: D000998:Antiviral Agents / Q000737:chemistry* / Q000494:pharmacology*; D045744:Cell Line, Tumor; D006561:Herpes Simplex / Q000175:diagnosis / Q000201:enzymology*; D018259:Herpesvirus 1, Human / Q000201:enzymology*; D006801:Humans; D008958:Models, Molecular; D010766:Phosphorylation; D049268:Positron-Emission Tomography / Q000379:methods; D013937:Thymidine Kinase / Q000378:metabolism*; D013941:Thymine / Q000031:analogs & derivatives* / Q000494:pharmacology*
chemical_list: D000998:Antiviral Agents; D013937:Thymidine Kinase; D013941:Thymine