Literature DB >> 21106457

N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.

Milan Bruncko1, Stephen K Tahir, Xiaohong Song, Jun Chen, Hong Ding, Jeffrey R Huth, Sha Jin, Russell A Judge, David J Madar, Chang H Park, Cheol-Min Park, Andrew M Petros, Christin Tse, Saul H Rosenberg, Steven W Elmore.   

Abstract

We describe the development of a novel series of N-aryl-benzimidazolone HSP90 inhibitors (9) targeting the N-terminal ATP-ase site. SAR development was influenced by structure-based design based around X-ray structures of ligand bound HSP90 complexes. Lead compounds exhibited high binding affinities, ATP-ase inhibition and cellular client protein degradation.
Copyright © 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID： 21106457     DOI： 10.1016/j.bmcl.2010.10.010

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  8 in total

1.  DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015.

Authors:  Veronica Salmaso; Mattia Sturlese; Alberto Cuzzolin; Stefano Moro
Journal:  J Comput Aided Mol Des       Date:  2016-09-16       Impact factor: 3.686

2.  Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets.

Authors:  Edithe Selwa; Virginie Y Martiny; Bogdan I Iorga
Journal:  J Comput Aided Mol Des       Date:  2016-10-03       Impact factor: 3.686

3.  D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.

Authors:  Symon Gathiaka; Shuai Liu; Michael Chiu; Huanwang Yang; Jeanne A Stuckey; You Na Kang; Jim Delproposto; Ginger Kubish; James B Dunbar; Heather A Carlson; Stephen K Burley; W Patrick Walters; Rommie E Amaro; Victoria A Feher; Michael K Gilson
Journal:  J Comput Aided Mol Des       Date:  2016-09-30       Impact factor: 3.686

Review 4.  Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology.

Authors:  Bruno O Villoutreix; Melaine A Kuenemann; Jean-Luc Poyet; Heriberto Bruzzoni-Giovanelli; Céline Labbé; David Lagorce; Olivier Sperandio; Maria A Miteva
Journal:  Mol Inform       Date:  2014-06-02       Impact factor: 3.353

5.  Investigating the geometrical preferences of a flexible benzimidazolone-based linker in the synthesis of coordination polymers.

Authors:  Corey L Jones; Elizabeth A Marsden; Adam C Nevin; Benson M Kariuki; Mohan M Bhadbhade; Adam D Martin; Timothy L Easun
Journal:  R Soc Open Sci       Date:  2017-12-06       Impact factor: 2.963

6.  Prediction of new Hsp90 inhibitors based on 3,4-isoxazolediamide scaffold using QSAR study, molecular docking and molecular dynamic simulation.

Authors:  Maryam Abbasi; Hojjat Sadeghi-Aliabadi; Massoud Amanlou
Journal:  Daru       Date:  2017-06-30       Impact factor: 3.117

7.  Synthesis of 1-isopropyl-3-acyl-5-methyl-benzimidazolone derivatives and their antimicrobial activity.

Authors:  Nan Xu; Chunnan Yang; Xinqi Gan; Shaopeng Wei; Zhiqin Ji
Journal:  Int J Mol Sci       Date:  2013-03-26       Impact factor: 5.923

8.  Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations.

Authors:  Majda Misini Ignjatović; Octav Caldararu; Geng Dong; Camila Muñoz-Gutierrez; Francisco Adasme-Carreño; Ulf Ryde
Journal:  J Comput Aided Mol Des       Date:  2016-08-26       Impact factor: 3.686
  8 in total

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