ArticlePloS one2015
Structure- and ligand-based virtual screening identifies new scaffolds for inhibitors of the oncoprotein MDM2.
Article in PloS one, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Discovery of dual kinase inhibitors targeting VEGFR2 and FAK: structure-based pharmacophore modeling, virtual screening, and molecular docking studies.BMC chemistry · 2024Article
- Article
- Predicting cell-penetrating peptides using machine learning algorithms and navigating in their chemical space.Scientific reports · 2021Article
- Novel Elongator Protein 2 Inhibitors Mitigating Tumor Necrosis Factor-BioMed research international · 2021Article
- Design of drug-like hepsin inhibitors against prostate cancer and kidney stones.Acta pharmaceutica Sinica. B · 2020Article
- Ensemble docking to difficult targets in early-stage drug discovery: Methodology and application to fibroblast growth factor 23.Chemical biology & drug design · 2018Article
- Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery.Frontiers in chemistry · 2018Review
- A Computational Investigation of Small-Molecule Engagement of Hot Spots at Protein-Protein Interaction Interfaces.Journal of chemical information and modeling · 2017Article
- Unique identifiers for small molecules enable rigorous labeling of their atoms.Scientific data · 2017Article
- A composite docking approach for the identification and characterization of ectosteric inhibitors of cathepsin K.PloS one · 2017Article
- USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques.Nucleic acids research · 2016Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
A major challenge in the field of ligand discovery is to identify chemically useful fragments that can be developed into inhibitors of specific protein-protein interactions. Low molecular weight fragments (with molecular weight less than 250 Da) are likely to bind weakly to a protein's surface. Here we use a new virtual screening procedure which uses a combination of similarity searching and docking to identify chemically tractable scaffolds that bind to the p53-interaction site of MDM2. The binding has been verified using capillary electrophoresis which has proven to be an excellent screening method for such small, weakly binding ligands.
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Registered trials
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