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Article

On the origin of the stereoselective affinity of Nutlin-3 geometrical isomers for the MDM2 protein.

Cell cycle (Georgetown, Tex.) - 15 Dec 2013

ElSawy Karim M, Verma Chandra S, Lane David P, Caves Leo S D

Abstract excerpt

The stereoselective affinity of small-molecule binding to proteins is typically broadly explained in terms of the thermodynamics of the final bound complex. Using Brownian dynamics simulations, we show that the preferential binding of the MDM2 protein to the geometrical isomers of Nutlin-3, an effective anticancer lead that works by inhibiting the interaction between the proteins p53 and MDM2, can be explained by...

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Identifiers

PMID: 24270847
DOI: 10.4161/cc.27273
PMCID: PMC3905064

Genes

MDM2

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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