Article

Soft-Modes Guided Pharmacophore Modeling Succeeds in Identification of Potent MDM2 Inhibitors

2022-03-31

Abstract excerpt

Targeting the interaction between tumor suppressor p53 and murine double minute 2 (MDM2) protein has been an attractive therapeutic strategy of recent cancer research. There are a few number of MDM2-targeted anticancer drug molecules undergoing clinical trials right now, however none of them have been approved so far. Recently, we analyzed the global dynamics of MDM2 and the conformational changes it undergoes upo...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: 0be557d2-c133-573e-8ac7-9819d6075711
DOI: 10.22541/au.164873327.72822666/v1

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Soft-Modes Guided Pharmacophore Modeling Succeeds in Identification of Potent MDM2 InhibitorsDOI 10.22541/au.164873327.72822666/v1Read

Co-operative intra-protein structural response due to protein-protein complexation revealed through thermodynamic quantification: study of MDM2-p53 binding.Semantic proximity Read

Study of MDM2 binding to p53-analogues: affinity, helicity, and applicability to drug design.Semantic proximity Read

Effect of the Flexible Regions of the Oncoprotein Mouse Double Minute X on Inhibitor Binding Affinity.Semantic proximity Read

Discovery of Potent and Selective p53-MDM2 Protein–Protein Interaction Inhibitors as Anticancer DrugsSemantic proximity Read

Small Molecule Inhibitors of the p53-MDM2Semantic proximity Read

Targeting dysregulation signatures of p53-MDM2 interactions to identify newer small molecule inhibitors for cancer therapy: Insight from computational directionSemantic proximity Read

Molecular Dynamic Simulation Insights into the Normal State and Restoration of p53 FunctionSemantic proximity Read

The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant.Semantic proximity Read

Simulating molecular mechanisms of the MDM2-mediated regulatory interactions: a conformational selection model of the MDM2 lid dynamics.Semantic proximity Read

Rigorous Computational and Experimental Investigations on MDM2/MDMX-Targeted Linear and Macrocyclic Peptides.Semantic proximity Read

Peptide probes derived from pertuzumab by molecular dynamics modeling for HER2 positive tumor imaging.Semantic proximity Read

Molecular Dynamics Simulations in Designing DARPins as Phosphorylation-Specific Protein Binders of ERK2.Semantic proximity Read