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A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK) |
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| Authors: | Krištafor Svjetlana Novaković Ivana Gazivoda Kraljević Tatjana Kraljević Pavelić Sandra Lučin Pero Westermaier Yvonne Pernot Lucile Scapozza Leonardo Ametamey Simon M Raić-Malić Silvana |
| Affiliation: | Department of Organic Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, HR-10000 Zagreb, Croatia. |
| 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). |
| Keywords: | 6-(1,3-Dihydroxyisobutenyl)thymine Herpes simplex virus type 1 thymidine kinase (HSV-1 TK) Molecular docking Positron emission tomography (PET) |
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