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

Shaabani, S., Neochoritis, C. G., Twarda-Clapa, A., Musielak, B., Holak, T. A. & Domling, A., May-2017, In : MedChemCommun. 8, 5, p. 1046-1052 7 p.

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

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DOI

Using the pharmacophore-based virtual screening platform ANCHOR.QUERY, we morphed our recently described Ugi-4CR scaffold towards a beta-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 beta-lactam series.

Original languageEnglish
Pages (from-to)1046-1052
Number of pages7
JournalMedChemCommun
Volume8
Issue number5
Publication statusPublished - May-2017

    Keywords

  • PROTEIN-PROTEIN INTERACTIONS, MULTICOMPONENT REACTIONS, MDM2-P53 INTERACTION, STEREOSELECTIVE-SYNTHESIS, INHIBITORS, CHEMISTRY, DESIGN, P53, DISCOVERY, AFFINITY

ID: 43754054