Published May 3, 2022
| Version v1
Dataset
Open
Controlled masking and targeted release of redox-cycling ortho-quinones via a C–C bond-cleaving 1,6-elimination
Creators
- Lavinia Dunsmore1
- Claudio D. Navo2
- Julie Becher1
- Enrique Gil de Montes1
- Ana Guerreiro3
- Emily Hoyt1
- Libby Brown4
- Viviane Zelenay5
- Sigitas Mikutis1
- Jonathan Cooper6
- Isaia Barbieri7
- Stefanie Lawrinowitz8
- Elise Siouve9
- Esther Martin5
- Pedro R. Ruivo3
- Tiago Rodrigues3
- Filipa P. da Cruz1
- Oliver Werz8
- George Vassiliou6
- Peter Ravn10
- Gonzalo Jiménez-Osés11
- Gonçalo J. L. Bernardes12
- 1. Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW Cambridge, UK
- 2. Center for Cooperative Research in Biosciences (CIC bioGUNE), Basque Research and Technology Alliance (BRTA), Bizkaia Technological Park, Building 800, 48160 Derio-Bizkaia, Spain
- 3. Instituto de Medicina Molecular João Lobo Antunes, Faculdade de Medicina da Universidade de Lisboa, Av. Prof. Egas Moniz, 1649-028 Lisboa, Portugal
- 4. Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW Cambridge, UK. Biologics Engineering, R&D, AstraZeneca, Milstein Building, Granta Park, CB21 6GH Cambridge, UK
- 5. Biologics Engineering, R&D, AstraZeneca, Milstein Building, Granta Park, CB21 6GH Cambridge, UK
- 6. Wellcome-MRC Cambridge Stem Cell Institute, Department of Haematology, University of Cambridge, CB2 0AW Cambridge, UK
- 7. Department of Pathology, University of Cambridge, Division of Cellular and Molecular Pathology, Addenbrooke's Hospital, CB2 0QQ Cambridge, UK
- 8. Department of Pharmaceutical/Medicinal Chemistry, Institute of Pharmacy, Friedrich Schiller University Jena, Philosophenweg 14, 07743 Jena, Germany
- 9. Biologics Engineering, R&D, AstraZeneca, Milstein Building, Granta Park, CB21 6GH Cambridge, UK. Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, CB3 0AS Cambridge, UK
- 10. Biologics Engineering, R&D, AstraZeneca, Milstein Building, Granta Park, CB21 6GH Cambridge, UK. Department of Biotherapeutic Discovery, H. Lundbeck A/S Ottiliavej 9, 2500 Valby, Denmark
- 11. Center for Cooperative Research in Biosciences (CIC bioGUNE), Basque Research and Technology Alliance (BRTA), Bizkaia Technological Park, Building 800, 48160 Derio-Bizkaia, Spain. Ikerbasque, Basque Foundation for Science, 48013 Bilbao, Spain
- 12. Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW Cambridge, UK. Instituto de Medicina Molecular João Lobo Antunes, Faculdade de Medicina da Universidade de Lisboa, Av. Prof. Egas Moniz, 1649-028 Lisboa, Portugal
Description
Electronic energies, entropies, enthalpies, Gibbs free energies, and lowest frequencies of the calculated structures (Energies.xlsx).
Fitting of kinetic data (Figure_5ci.opju).
Gaussian 16 output files for all calculated structures (Gaussian_output_files.zip).
Files
Gaussian_output_files.zip
Files
(414.3 MB)
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Additional details
Funding
- SIMICA – Site-selective protein-modification chemistries for antibody-drug conjugates (ADCs) 852985
- European Commission
- LapIt – Making AML treatment a clinical reality: A novel anti-IL7 receptor antibody to deliver Lap to 5LO positive cells 812994
- European Commission
- Target5LO – Targeting 5-lipoxygenase in the context of Acute Myeloid Leukemia 792495
- European Commission