Study of MDM2 Binding to p53-Analogues: Affinity, Helicity, and Applicability to Drug Design

No abstract is available for this paper.

• Publication year

  2009

• Venue

  Journal of Chemical Information and Modeling

• Publication date

  2009-03-26

• Fields of study

  Medicine, Chemistry, Computer Science

• Identifiers
  DOI 10.1021/ci800352cPMID 19323449
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization.

  2008cited by this paper
• Multiple peptide conformations give rise to similar binding affinities: molecular simulations of p53-MDM2.

  2008cited by this paper
• MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization

  2008cited by this paper
• Quantitative lid dynamics of MDM2 reveals differential ligand binding modes of the p53-binding cleft.

  2008cited by this paper
• Calculation of protein-ligand binding affinities.

  2007cited by this paper
• Modulation of the p53-MDM2 Interaction by Phosphorylation of Thr18: A Computational Study

  2007cited by this paper
• Crystallographic analysis of an 8-mer p53 peptide analogue complexed with MDM2.

  2006cited by this paper
• Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?

  2006cited by this paper
• Determinants of specificity of MDM2 for the activation domains of p53 and p65: proline27 disrupts the MDM2-binding motif of p53.

  2006cited by this paper
• Transient stability of the helical pattern of region F19-L22 of the N-terminal domain of p53: a molecular dynamics simulation study.

  2006cited by this paper
• Structure-activity studies in a family of beta-hairpin protein epitope mimetic inhibitors of the p53-HDM2 protein-protein interaction.

  2006cited by this paper
• Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring.

  2006cited by this paper
• Structure–Activity Studies in a Family of β‐Hairpin Protein Epitope Mimetic Inhibitors of the p53–HDM2 Protein–Protein Interaction

  2006cited by this paper
• Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells.

  2005cited by this paper
• Structure of free MDM2 N-terminal domain reveals conformational adjustments that accompany p53-binding.

  2005cited by this paper
• Binding of p53-derived ligands to MDM2 induces a variety of long range conformational changes.

  2004cited by this paper
• Computational studies and peptidomimetic design for the human p53–MDM2 complex

  2004cited by this paper
• In Vivo Activation of the p53 Pathway by Small-Molecule Antagonists of MDM2

  2004cited by this paper
• The MDM 2p 53 Interaction

  2003cited by this paper
• The MDM2-p53 interaction.

  2003cited by this paper
• Molecular mechanism of the interaction between MDM2 and p53.

  2002cited by this paper
• A simple physical model for binding energy hot spots in protein–protein complexes

  2002cited by this paper
• Mdm-2 binding and TAFII31 recruitment is regulated by hydrogen bond disruption between the p53 residues Thr18 and Asp21

  2002cited by this paper
• Regulation of p53 function.

  2001cited by this paper
• Critical roles for the serine 20, but not the serine 15, phosphorylation site and for the polyproline domain in regulating p53 turnover.

  2001cited by this paper
• New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model

  2001cited by this paper
• Discovery of potent antagonists of the interaction between human double minute 2 and tumor suppressor p53.

  2000cited by this paper
• Thermodynamics of p53 binding to hdm2(1-126): effects of phosphorylation and p53 peptide length.

  2000cited by this paper
• Novel phosphorylation sites of human tumour suppressor protein p53 at Ser20 and Thr18 that disrupt the binding of mdm2 (mouse double minute 2) protein are modified in human cancers.

  1999cited by this paper
• Computational Alanine Scanning To Probe Protein−Protein Interactions: A Novel Approach To Evaluate Binding Free Energies

  1999cited by this paper
• Molecular characterization of the hdm2-p53 interaction.

  1997cited by this paper
• Identification of novel mdm2 binding peptides by phage display.

  1996cited by this paper
• Structure of the MDM2 Oncoprotein Bound to the p53 Tumor Suppressor Transactivation Domain

  1996cited by this paper
• Several hydrophobic amino acids in the p53 amino-terminal domain are required for transcriptional activation, binding to mdm-2 and the adenovirus 5 E1B 55-kD protein.

  1994cited by this paper
• Immunochemical analysis of the interaction of p53 with MDM2;--fine mapping of the MDM2 binding site on p53 using synthetic peptides.

  1994cited by this paper
• Hydrogen bonding. Part 9. Solute proton donor and proton acceptor scales for use in drug design

  1989cited by this paper
• Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction.

  1973cited by this paper

• Raman active diyne-girder conformationally constrained p53 stapled peptides bind to MDM2 for visualisation without fluorophores

  2025cites this paper
• Cancer-Associated Mutations Perturb the Disordered Ensemble and Interactions of the Intrinsically Disordered p53 Transactivation Domain.

  2021cites this paper
• Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2

  2020cites this paper
• Cancer-Associated Mutations Perturb the Structure and Interactions of the Intrinsically Disordered p53 Transactivation Domain

  2020cites this paper
• Synthesis, Biological Evaluation, and In Silico Studies of Novel Aminated Xanthones as Potential p53-Activating Agents

  2019cites this paper
• G-actin guides p 53 nuclear transport : potential contribution of monomeric actin in altered localization of mutant p 53

  2017cites this paper
• Design and synthesis of new inhibitors of p53–MDM2 interaction with a chalcone scaffold

  2016cites this paper
• Structural and sequential context of p53: A review of experimental and theoretical evidence.

  2015cites this paper
• Modeling of Arylamide Helix Mimetics in the p53 Peptide Binding Site of hDM2 Suggests Parallel and Anti-Parallel Conformations Are Both Stable

  2012cites this paper
• Molecular Dynamic Simulation Insights into the Normal State and Restoration of p53 Function

  2012cites this paper
• Simulating Molecular Mechanisms of the MDM2-Mediated Regulatory Interactions: A Conformational Selection Model of the MDM2 Lid Dynamics

  2012cites this paper
• Use and Development of Computational Tools in Drug Discovery: From Small Molecules to Cyclic Peptides

  2012cites this paper
• Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain

  2011cites this paper
• Solvent effects on structural and thermochemical properties of p53 tumor-suppressor gene: a molecular modeling approach in drug design

  2011cites this paper
• Molecular modeling approaches in the discovery of new drugs for anti-cancer therapy: the investigation of p53-MDM2 interaction and its inhibition by small molecules.

  2010cites this paper
• Correlation between different p53 expression patterns and chromosome 17 imbalances in pancreatic ductal adenocarcinoma based on tissue microarray analysis.

  2010cites this paper
• Systematic mutational analysis of peptide inhibition of the p53-MDM2/MDMX interactions.

  2010cites this paper
• Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target Interaction

  2010cites this paper
• Inhibitors of MDM2 and MDMX: a structural perspective.

  2009cites this paper