Literature DB >> 31857835

In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.

Ting Ran1,2, Rongquan Xiao1, Qixuan Huang1, Haoliang Yuan3, Tao Lu4, Wen Liu1.   

Abstract

The 2-oxoglutarate (2OG)-dependent oxygenase JMJD6 is emerging as a potential anticancer target, but its inhibitors have not been reported so far. In this study, we reported an in silico protocol to discover JMJD6 inhibitors targeting the druggable 2OG-binding site. Following this protocol, one compound, which we named as WL12, was found to be able to inhibit JMJD6 enzymatic activity and JMJD6-dependent cell proliferation. To our best knowledge, this is the first case in drug discovery targeting JMJD6.
Copyright © 2019 American Chemical Society.

Entities:  

Year:  2019        PMID： 31857835      PMCID： PMC6912872          DOI： 10.1021/acsmedchemlett.9b00264

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  34 in total

1.  Interaction of JMJD6 with single-stranded RNA.

Authors:  Xia Hong; Jianye Zang; Janice White; Chao Wang; Cheol-Ho Pan; Rui Zhao; Robert C Murphy; Shaodong Dai; Peter Henson; John W Kappler; James Hagman; Gongyi Zhang
Journal:  Proc Natl Acad Sci U S A       Date:  2010-08-02       Impact factor: 11.205

Review 2.  Pan Assay Interference Compounds (PAINS) and Other Promiscuous Compounds in Antifungal Research.

Authors:  Martin Pouliot; Stephane Jeanmart
Journal:  J Med Chem       Date:  2015-09-08       Impact factor: 7.446

3.  LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters.

Authors:  Gerhard Wolber; Thierry Langer
Journal:  J Chem Inf Model       Date:  2005 Jan-Feb       Impact factor: 4.956

4.  Identifying and characterizing binding sites and assessing druggability.

Authors:  Thomas A Halgren
Journal:  J Chem Inf Model       Date:  2009-02       Impact factor: 4.956

Review 5.  Advances in the development of histone lysine demethylase inhibitors.

Authors:  Tamara Maes; Elena Carceller; Jordi Salas; Alberto Ortega; Carlos Buesa
Journal:  Curr Opin Pharmacol       Date:  2015-06-05       Impact factor: 5.547

6.  JMJD6 is a histone arginine demethylase.

Authors:  Bingsheng Chang; Yue Chen; Yingming Zhao; Richard K Bruick
Journal:  Science       Date:  2007-10-19       Impact factor: 47.728

7.  Structural analysis of human KDM5B guides histone demethylase inhibitor development.

Authors:  Catrine Johansson; Srikannathasan Velupillai; Anthony Tumber; Aleksandra Szykowska; Edward S Hookway; Radoslaw P Nowak; Claire Strain-Damerell; Carina Gileadi; Martin Philpott; Nicola Burgess-Brown; Na Wu; Jola Kopec; Andrea Nuzzi; Holger Steuber; Ursula Egner; Volker Badock; Shonagh Munro; Nicholas B LaThangue; Sue Westaway; Jack Brown; Nick Athanasou; Rab Prinjha; Paul E Brennan; Udo Oppermann
Journal:  Nat Chem Biol       Date:  2016-05-23       Impact factor: 15.040

8.  Jmjd6 catalyses lysyl-hydroxylation of U2AF65, a protein associated with RNA splicing.

Authors:  Celia J Webby; Alexander Wolf; Natalia Gromak; Mathias Dreger; Holger Kramer; Benedikt Kessler; Michael L Nielsen; Corinna Schmitz; Danica S Butler; John R Yates; Claire M Delahunty; Phillip Hahn; Andreas Lengeling; Matthias Mann; Nicholas J Proudfoot; Christopher J Schofield; Angelika Böttger
Journal:  Science       Date:  2009-07-03       Impact factor: 47.728

Review 9.  Recent Progress in Histone Demethylase Inhibitors.

Authors:  Tom E McAllister; Katherine S England; Richard J Hopkinson; Paul E Brennan; Akane Kawamura; Christopher J Schofield
Journal:  J Med Chem       Date:  2016-02-02       Impact factor: 7.446

10.  FTMAP: extended protein mapping with user-selected probe molecules.

Authors:  Chi Ho Ngan; Tanggis Bohnuud; Scott E Mottarella; Dmitri Beglov; Elizabeth A Villar; David R Hall; Dima Kozakov; Sandor Vajda
Journal:  Nucleic Acids Res       Date:  2012-05-15       Impact factor: 16.971
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  6 in total

1.  An oncogenic JMJD6-DGAT1 axis tunes the epigenetic regulation of lipid droplet formation in clear cell renal cell carcinoma.

Authors:  Jin Zhou; Jeremy M Simon; Chengheng Liao; Cheng Zhang; Lianxin Hu; Giada Zurlo; Xijuan Liu; Cheng Fan; Austin Hepperla; Liwei Jia; Vanina Toffessi Tcheuyap; Hua Zhong; Roy Elias; Jin Ye; W Mike Henne; Payal Kapur; Deepak Nijhawan; James Brugarolas; Qing Zhang
Journal:  Mol Cell       Date:  2022-06-27       Impact factor: 19.328

2.  Inhibition of JMJD6 by 2-Oxoglutarate Mimics.

Authors:  Md Sailful Islam; Cyrille C Thinnes; James P Holt-Martyn; Rasheduzzaman Chowdhury; Michael A McDonough; Christopher J Schofield
Journal:  ChemMedChem       Date:  2021-11-16       Impact factor: 3.540

Review 3.  Role of the Epigenetic Modifier JMJD6 in Tumor Development and Regulation of Immune Response.

Authors:  Kai Wang; Chao Yang; Haibin Li; Xiaoyan Liu; Meiling Zheng; Zixue Xuan; Zhiqiang Mei; Haiyong Wang
Journal:  Front Immunol       Date:  2022-03-14       Impact factor: 7.561

Review 4.  JMJD family proteins in cancer and inflammation.

Authors:  Wang Manni; Xue Jianxin; Hong Weiqi; Chen Siyuan; Shi Huashan
Journal:  Signal Transduct Target Ther       Date:  2022-09-01

5.  A specific JMJD6 inhibitor potently suppresses multiple types of cancers both in vitro and in vivo.

Authors:  Rong-Quan Xiao; Ting Ran; Qi-Xuan Huang; Guo-Sheng Hu; Da-Meng Fan; Jia Yi; Wen Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2022-08-15       Impact factor: 12.779

Review 6.  Current Status of the Use of Multifunctional Enzymes as Anti-Cancer Drug Targets.

Authors:  Carla S S Teixeira; Sérgio F Sousa
Journal:  Pharmaceutics       Date:  2021-12-21       Impact factor: 6.321
  6 in total

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