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Ligand Binding Mode Prediction by Docking: Mdm2/Mdmx Inhibitors as a Case Study

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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MDM4 binds ligands via a mechanism in which disordered regions become structured

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p53, the Cellular Gatekeeper for Growth and Division

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ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

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Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst

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Numerical Errors and Chaotic Behavior in Docking Simulations

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Consensus Docking: Improving the Reliability of Docking in a Virtual Screening Context

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Computational Validation of the Importance of Absolute Stereochemistry in Virtual Screening

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Docking Ligands into Flexible and Solvated Macromolecules. 3. Impact of Input Ligand Conformation, Protein Flexibility, and Water Molecules on the Accuracy of Docking Programs

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Effect of Input Differences on the Results of Docking Calculations

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Low Mode Search. An Efficient, Automated Computational Method for Conformational Analysis: Application to Cyclic and Acyclic Alkanes and Cyclic Peptides

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Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations

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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

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Discovery and Cocrystal Structure of Benzodiazepinedione HDM2 Antagonists That Activate p53 in Cells

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Structure-Based Design of Spiro-oxindoles as Potent, Specific Small-Molecule Inhibitors of the MDM2−p53 Interaction

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p53 Activation by Small Molecules: Application in Oncology

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Discovery of a Nanomolar Inhibitor of the Human Murine Double Minute 2 (MDM2)−p53 Interaction through an Integrated, Virtual Database Screening Strategy

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Discovery, Synthesis, and Biological Evaluation of Orally Active Pyrrolidone Derivatives as Novel Inhibitors of p53–MDM2 Protein–Protein Interaction

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Discovery and Optimization of Chromenotriazolopyrimidines as Potent Inhibitors of the Mouse Double Minute 2−Tumor Protein 53 Protein−Protein Interaction

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Potent and Orally Active Small-Molecule Inhibitors of the MDM2−p53 Interaction

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NMR structure of a complex between MDM2 and a small molecule inhibitor

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p53, guardian of the genome

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Inactivation of the p53 pathway in retinoblastoma

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Small-molecule MDM2 antagonists reveal aberrant p53 signaling in cancer: Implications for therapy

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Temporal activation of p53 by a specific MDM2 inhibitor is selectively toxic to tumors and leads to complete tumor growth inhibition

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Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization

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Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

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

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The p53-mdm-2 autoregulatory feedback loop.

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Substituted 1,4‐Benzodiazepine‐2,5‐diones as α‐Helix Mimetic Antagonists of the HDM2‐p53 Protein–Protein Interaction

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In Vivo Activation of the p53 Pathway by Small-Molecule Antagonists of MDM2

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Structure of the MDM2 Oncoprotein Bound to the p53 Tumor Suppressor Transactivation Domain

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Amplification of Mdmx (or Mdm4 ) Directly Contributes to Tumor Formation by Inhibiting p53 Tumor Suppressor Activity

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

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Targeting the MDM2-p53 Interaction for Cancer Therapy

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Simultaneous activation of p53 and inhibition of XIAP enhance the activation of apoptosis signaling pathways in AML

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MDMX: from bench to bedside

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The MDM2 Inhibitor Nutlins as an Innovative Therapeutic Tool for the Treatment of Haematological Malignancies

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Recent Advances in the Therapeutic Perspectives of Nutlin-3

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Small-Molecule Inhibitors of p53-MDM2 Interaction: the 2006-2010 Update

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Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain

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

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

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