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Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists

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Abstract

Using the pharmacophore-based virtual screening platform ANCHOR.QUERY, we morphed our recently described Ugi-4CR scaffold towards a β-lactam scaffold with potent p53-MDM2 antagonizing activities. 2D-HSQC and FP measurements confirm potent MDM2 binding. Molecular modeling studies were used to understand the observed SAR in the β-lactam series.

Graphical abstract: Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists

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Publication details

The article was received on 01 Feb 2017, accepted on 08 Mar 2017 and first published on 15 Mar 2017


Article type: Research Article
DOI: 10.1039/C7MD00058H
Citation: Med. Chem. Commun., 2017, Advance Article
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    Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists

    S. Shaabani, C. G. Neochoritis, A. Twarda-Clapa, B. Musielak, T. A. Holak and A. Dömling, Med. Chem. Commun., 2017, Advance Article , DOI: 10.1039/C7MD00058H

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