Literature DB >> 29034069

Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists†.

S Shaabani1,2, C G Neochoritis1, A Twarda-Clapa3,4, B Musielak5, T A Holak3,5, A Dömling1.   

Abstract

Using the pharmacophore-based virtual screening platform ANCHOR.QUERY, we morphed our recently described Ugi-4CR scaffold towards a β-lactam scaffold with potent p53-MDM2 antagonizing activities. 2D-HSQC and FP measurements confirm potent MDM2 binding. Molecular modeling studies are used to understand the observed SAR in the β-lactam series.

Entities:  

Year:  2017        PMID： 29034069      PMCID： PMC5637554          DOI： 10.1039/C7MD00058H

Source DB:  PubMed          Journal:  Medchemcomm        ISSN： 2040-2503            Impact factor:   3.597


  30 in total

1.  Fluorescence polarization competition assay: the range of resolvable inhibitor potency is limited by the affinity of the fluorescent ligand.

Authors:  Xinyi Huang
Journal:  J Biomol Screen       Date:  2003-02

2.  Exhaustive fluorine scanning toward potent p53-Mdm2 antagonists.

Authors:  Yijun Huang; Siglinde Wolf; David Koes; Grzegorz M Popowicz; Carlos J Camacho; Tad A Holak; Alexander Dömling
Journal:  ChemMedChem       Date:  2011-09-27       Impact factor: 3.466

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

Authors:  Anna Czarna; Grzegorz M Popowicz; Aleksandra Pecak; Siglinde Wolf; Grzegorz Dubin; Tad A Holak
Journal:  Cell Cycle       Date:  2009-04-16       Impact factor: 4.534

4.  Cyclic anhydrides in formal cycloadditions and multicomponent reactions.

Authors:  Marcos González-López; Jared T Shaw
Journal:  Chem Rev       Date:  2009-01       Impact factor: 60.622

5.  The condensation of succinic anhydride with benzylidinemethylamine. A stereoselective synthesis of trans- and cis-1-methyl-4-carbosy-5-phenyl-2-pyrrolidinone.

Authors:  N Castagnoli
Journal:  J Org Chem       Date:  1969-10       Impact factor: 4.354

6.  Robust generation of lead compounds for protein-protein interactions by computational and MCR chemistry: p53/Hdm2 antagonists.

Authors:  Anna Czarna; Barbara Beck; Stuti Srivastava; Grzegorz M Popowicz; Siglinde Wolf; Yijun Huang; Michal Bista; Tad A Holak; Alexander Dömling
Journal:  Angew Chem Int Ed Engl       Date:  2010-07-19       Impact factor: 15.336

7.  MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.

Authors:  P R Gerber; K Müller
Journal:  J Comput Aided Mol Des       Date:  1995-06       Impact factor: 3.686

Review 8.  How To Design a Successful p53-MDM2/X Interaction Inhibitor: A Thorough Overview Based on Crystal Structures.

Authors:  Natalia Estrada-Ortiz; Constantinos G Neochoritis; Alexander Dömling
Journal:  ChemMedChem       Date:  2015-12-16       Impact factor: 3.466

9.  Rationalizing tight ligand binding through cooperative interaction networks.

Authors:  Bernd Kuhn; Julian E Fuchs; Michael Reutlinger; Martin Stahl; Neil R Taylor
Journal:  J Chem Inf Model       Date:  2011-12-09       Impact factor: 4.956

Review 10.  NMR-based approaches for the identification and optimization of inhibitors of protein-protein interactions.

Authors:  Elisa Barile; Maurizio Pellecchia
Journal:  Chem Rev       Date:  2014-04-08       Impact factor: 60.622
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  8 in total

1.  Hitting on the move: Targeting intrinsically disordered protein states of the MDM2-p53 interaction.

Authors:  Constantinos G Neochoritis; Jack Atmaj; Aleksandra Twarda-Clapa; Ewa Surmiak; Lukasz Skalniak; Lisa-Maria Köhler; Damian Muszak; Katarzyna Kurpiewska; Justyna Kalinowska-Tłuścik; Barbara Beck; Tad A Holak; Alexander Dömling
Journal:  Eur J Med Chem       Date:  2019-08-06       Impact factor: 6.514

2.  A fluorinated indole-based MDM2 antagonist selectively inhibits the growth of p53wt osteosarcoma cells.

Authors:  Lukasz Skalniak; Aleksandra Twarda-Clapa; Constantinos G Neochoritis; Ewa Surmiak; Monika Machula; Aneta Wisniewska; Beata Labuzek; Ameena M Ali; Sylwia Krzanik; Grzegorz Dubin; Matthew Groves; Alexander Dömling; Tad A Holak
Journal:  FEBS J       Date:  2019-02-16       Impact factor: 5.542

3.  AnchorQuery: Rapid online virtual screening for small-molecule protein-protein interaction inhibitors.

Authors:  David R Koes; Alexander Dömling; Carlos J Camacho
Journal:  Protein Sci       Date:  2017-10-24       Impact factor: 6.725

4.  Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.

Authors:  Eman M M Abdelraheem; Katarzyna Kurpiewska; Justyna Kalinowska-Tłuścik; Alexander Dömling
Journal:  J Org Chem       Date:  2016-09-15       Impact factor: 4.354

Review 5.  Tetrazoles via Multicomponent Reactions.

Authors:  Constantinos G Neochoritis; Ting Zhao; Alexander Dömling
Journal:  Chem Rev       Date:  2019-02-01       Impact factor: 60.622

6.  Design of indole- and MCR-based macrocycles as p53-MDM2 antagonists.

Authors:  Constantinos G Neochoritis; Maryam Kazemi Miraki; Eman M M Abdelraheem; Ewa Surmiak; Tryfon Zarganes-Tzitzikas; Beata Łabuzek; Tad A Holak; Alexander Dömling
Journal:  Beilstein J Org Chem       Date:  2019-02-20       Impact factor: 2.883

7.  Query-guided protein-protein interaction inhibitor discovery.

Authors:  Sergio Celis; Fruzsina Hobor; Thomas James; Gail J Bartlett; Amaurys A Ibarra; Deborah K Shoemark; Zsófia Hegedüs; Kristina Hetherington; Derek N Woolfson; Richard B Sessions; Thomas A Edwards; David M Andrews; Adam Nelson; Andrew J Wilson
Journal:  Chem Sci       Date:  2021-03-02       Impact factor: 9.825

8.  TEAD-YAP Interaction Inhibitors and MDM2 Binders from DNA-Encoded Indole-Focused Ugi Peptidomimetics.

Authors:  Verena B K Kunig; Marco Potowski; Mohammad Akbarzadeh; Mateja Klika Škopić; Denise Dos Santos Smith; Lukas Arendt; Ina Dormuth; Hélène Adihou; Blaž Andlovic; Hacer Karatas; Shabnam Shaabani; Tryfon Zarganes-Tzitzikas; Constantinos G Neochoritis; Ran Zhang; Matthew Groves; Stéphanie M Guéret; Christian Ottmann; Jörg Rahnenführer; Roland Fried; Alexander Dömling; Andreas Brunschweiger
Journal:  Angew Chem Int Ed Engl       Date:  2020-07-15       Impact factor: 16.823
  8 in total

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