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ToolsAngulo, Jesus, Goffin, Sarah, Gandhi, Daivik, Searcey, Mark and Howell, Lesley (2016) Unveiling the "three finger pharmacophore" required for p53-MDM2 inhibition by saturation transfer difference NMR initial growth rates approach. Chemistry - A European Journal, 22 (17). pp. 5858-5862. ISSN 0947-6539
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Abstract
Inhibitors of the p53-MDM2 protein-protein interaction are emerging as a novel and validated approach to treating cancer. In this work we describe the synthesis and inhibitory evaluation of a series of isoquinolin-1-one analogues, and highlight the utility of an initial growth rates STD NMR approach supported by protein-ligand docking to investigate p53-MDM2 inhibition. The approach is illustrated by the study of compound 1, providing key insights into the binding mode of this kind of MDM2 ligands and, more importantly, readily unveiling the previously proposed three finger pharmacophore requirement for p53-MDM2 inhibition.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | saturation-transfer difference nmr,p53-mdm2,cancer,protein-protein interactions,molecular modelling,sdg 3 - good health and well-being ,/dk/atira/pure/sustainabledevelopmentgoals/good_health_and_well_being |
| Faculty \ School: | Faculty of Science > School of Pharmacy (former - to 2024) Faculty of Science Faculty of Science > School of Chemistry (former - to 2024) |
| UEA Research Groups: | Faculty of Science > Research Groups > Drug Delivery and Pharmaceutical Materials (former - to 2017) Faculty of Science > Research Groups > Medicinal Chemistry (former - to 2017) Faculty of Science > Research Groups > Chemical Biology and Medicinal Chemistry (former - to 2021) Faculty of Science > Research Groups > Pharmaceutical Materials and Soft Matter |
| Related URLs: | |
| Depositing User: | Pure Connector |
| Date Deposited: | 22 Mar 2016 09:27 |
| Last Modified: | 10 Apr 2025 00:11 |
| URI: | https://ueaeprints.uea.ac.uk/id/eprint/57776 |
| DOI: | 10.1002/chem.201600114 |
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