ArticleJournal of molecular graphics & modelling2017
Performance of a docking/molecular dynamics protocol for virtual screening of nutlin-class inhibitors of Mdmx.
Article in Journal of molecular graphics & modelling, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
10 citing papers in PubMed.
- Preliminary Anti-Melanoma Activity of a Chlorogenic Acid-Based PROTAC Targeting MDM4, a Candidate Protein Identified by Proteomics.Foods (Basel, Switzerland) · 2026Article
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- Integrating computational methods guided the discovery of phytochemicals as potential Pin1 inhibitors for cancer: pharmacophore modeling, molecular docking, MM-GBSA calculations and molecular dynamics studies.Frontiers in chemistry · 2024Article
- Novel compound heterozygous variants (c.971delA/c.542C > T) inFrontiers in pediatrics · 2023Article
- Screening of potential inhibitors targeting the main protease structure of SARS-CoV-2Frontiers in pharmacology · 2022Article
- Discovery and Validation of Lmj_04_BRCT Domain, a Novel Therapeutic Target: Identification of Candidate Drugs for Leishmaniasis.International journal of molecular sciences · 2021Article
- Targeting Phosphopeptide Recognition by the Human BRCA1 Tandem BRCT Domain to Interrupt BRCA1-Dependent Signaling.Cell chemical biology · 2018Article
- Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016.Journal of computer-aided molecular design · 2018Article
- Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling.Journal of computer-aided molecular design · 2018Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
A virtual screening protocol involving docking and molecular dynamics has been tested against the results of fluorescence polarization assays testing the potency of a series of compounds of the nutlin class for inhibition of the interaction between p53 and Mdmx, an interaction identified as a driver of certain cancers. The protocol uses a standard docking method (AutoDock) with a cutoff based on the AutoDock score (ADscore), followed by molecular dynamics simulation with a cutoff based on root-mean-square-deviation (RMSD) from the docked pose. An analysis of the experimental and computational results shows modest performance of ADscore alone, but dramatically improved performance when RMSD is also used.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.