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

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 are used to understand the observed SAR in the β-lactam series.

SUBMITTER: Shaabani S

PROVIDER: S-EPMC5637554 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature

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Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists<sup>†</sup>.

Shaabani S S Neochoritis C G CG Twarda-Clapa A A Musielak B B Holak T A TA Dömling A A

MedChemComm 20170315 5

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 are used to understand the observed SAR in the β-lactam series. ...[more]

PMID: 29034069

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