Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations

The pre-clinical development of MDM2 inhibitors in chronic lymphocytic leukemia uncovers a central role for p53 status in sensitivity to Mdm2 inhibitor-mediated apoptosis

(2011) Dale Bixby et al.   CELL CYCLE

Molecular modeling and molecular dynamics simulation studies on pyrrolopyrimidine-based α-helix mimetic as dual inhibitors of MDM2 and MDMX

(2011) Shao-Yong Lu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Insight into mechanism of small molecule inhibitors of the MDM2–p53 interaction: Molecular dynamics simulation and free energy analysis

(2011) Jianzhong Chen et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx

(2010) Anna Czarna et al.   CELL CYCLE

Differential binding of p53 and nutlin to MDM2 and MDMX: Computational studies

(2010) Thomas Leonard Joseph et al.   CELL CYCLE

Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery

(2010) Grzegorz M. Popowicz et al.   CELL CYCLE

Insight into a Novel p53 Single Point Mutation (G389E) by Molecular Dynamics Simulations

(2010) Davide Pirolli et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Identification and Characterization of the First Small Molecule Inhibitor of MDMX

(2010) Damon Reed et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Interaction Fields and 3D-QSAR Studies of p53−MDM2 Inhibitors Suggest Additional Features of Ligand−Target Interaction

(2010) Cristina Dezi et al.   Journal of Chemical Information and Modeling

A computational analysis of the binding model of MDM2 with inhibitors

(2010) Guodong Hu et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Systematic Mutational Analysis of Peptide Inhibition of the p53–MDM2/MDMX Interactions

(2010) Chong Li et al.   JOURNAL OF MOLECULAR BIOLOGY

Electrostatic Polarization Makes a Substantial Contribution to the Free Energy of Avidin−Biotin Binding

(2010) Yan Tong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Role of Phe82 and Phe351 in Auxin-Induced Substrate Perception by TIR1 Ubiquitin Ligase: A Novel Insight from Molecular Dynamics Simulations

(2010) Ge-Fei Hao et al.   PLoS One

The p53 orchestra: Mdm2 and Mdmx set the tone

(2010) Mark Wade et al.   TRENDS IN CELL BIOLOGY

Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes

(2009) Joerg Kallen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structure-based Design of High Affinity Peptides Inhibiting the Interaction of p53 with MDM2 and MDMX

(2009) Jason Phan et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential

(2009) Dian Jiao et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Insights into drug resistance of mutations D30N and I50V to HIV-1 protease inhibitor TMC-114: Free energy calculation and molecular dynamic simulation

(2009) Jianzhong Chen et al.   JOURNAL OF MOLECULAR MODELING

Structural basis for high-affinity peptide inhibition of p53 interactions with MDM2 and MDMX

(2009) M. Pazgier et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Small-Molecule Inhibitors of the MDM2-p53 Protein-Protein Interaction to Reactivate p53 Function: A Novel Approach for Cancer Therapy

(2008) Sanjeev Shangary et al.   Annual Review of Pharmacology and Toxicology

Selectivity of Neutral/Weakly Basic P1 Group Inhibitors of Thrombin and Trypsin by a Molecular Dynamics Study

(2008) Emilia L. Wu et al.   CHEMISTRY-A EUROPEAN JOURNAL

New developments in small molecules targeting p53 pathways in anticancer therapy

(2008) Chit Fang Cheok et al.   DRUG DEVELOPMENT RESEARCH