Literature DB >> 24900258

3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors.

Mika Lindvall1, Christopher McBride1, Maureen McKenna1, Thomas G Gesner1, Asha Yabannavar1, Kent Wong1, Song Lin1, Annette Walter1, Cynthia M Shafer1.   

Abstract

A ligand-based 3D pharmacophore model for serine/threonine kinase CDC7 inhibition was created and successfully applied in the discovery of novel 2-(heteroaryl)-6,7-dihydrothieno[3,2-c]pyridin-4(5H)-ones. The pharmacophore model provided a hypothesis for lead generation missed by docking to a homology model. Medicinal chemistry exploration of the series revealed clear structure-activity relationships consistent with the pharmacophore model and pointed to further optimization opportunities.

Entities:  

Keywords:  CDC7; homology model; kinase; lead generation; pharmacophore model; structure−activity relationship

Year:  2011        PMID： 24900258      PMCID： PMC4018153          DOI： 10.1021/ml200029w

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


  19 in total

1.  Flexible alignment of small molecules.

Authors:  P Labute; C Williams; M Feher; E Sourial; J M Schmidt
Journal:  J Med Chem       Date:  2001-05-10       Impact factor: 7.446

Review 2.  Functions of mammalian Cdc7 kinase in initiation/monitoring of DNA replication and development.

Authors:  Jung Min Kim; Masayuki Yamada; Hisao Masai
Journal:  Mutat Res       Date:  2003-11-27       Impact factor: 2.433

3.  Drf1, a novel regulatory subunit for human Cdc7 kinase.

Authors:  A Montagnoli; R Bosotti; F Villa; M Rialland; D Brotherton; C Mercurio; J Berthelsen; C Santocanale
Journal:  EMBO J       Date:  2002-06-17       Impact factor: 11.598

Review 4.  Targeting cell division cycle 7 kinase: a new approach for cancer therapy.

Authors:  Alessia Montagnoli; Jürgen Moll; Francesco Colotta
Journal:  Clin Cancer Res       Date:  2010-07-20       Impact factor: 12.531

5.  Phosphorylation of MCM4 by Cdc7 kinase facilitates its interaction with Cdc45 on the chromatin.

Authors:  Hisao Masai; Chika Taniyama; Keiko Ogino; Etsuko Matsui; Naoko Kakusho; Seiji Matsumoto; Jung-Min Kim; Ai Ishii; Taku Tanaka; Toshiko Kobayashi; Katsuyuki Tamai; Kiyoshi Ohtani; Ken-Ichi Arai
Journal:  J Biol Chem       Date:  2006-10-17       Impact factor: 5.157

6.  A second human Dbf4/ASK-related protein, Drf1/ASKL1, is required for efficient progression of S and M phases.

Authors:  Naoko Yoshizawa-Sugata; Ai Ishii; Chika Taniyama; Etsuko Matsui; Ken-ichi Arai; Hisao Masai
Journal:  J Biol Chem       Date:  2005-01-24       Impact factor: 5.157

7.  Mammalian Cdc7-Dbf4 protein kinase complex is essential for initiation of DNA replication.

Authors:  W Jiang; D McDonald; T J Hope; T Hunter
Journal:  EMBO J       Date:  1999-10-15       Impact factor: 11.598

8.  Identification of Mcm2 phosphorylation sites by S-phase-regulating kinases.

Authors:  Alessia Montagnoli; Barbara Valsasina; Deborah Brotherton; Sonia Troiani; Sonia Rainoldi; Pierluigi Tenca; Antonio Molinari; Corrado Santocanale
Journal:  J Biol Chem       Date:  2006-01-30       Impact factor: 5.157

9.  4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.

Authors:  Cynthia M Shafer; Mika Lindvall; Cornelia Bellamacina; Thomas G Gesner; Asha Yabannavar; Weiping Jia; Song Lin; Annette Walter
Journal:  Bioorg Med Chem Lett       Date:  2008-07-17       Impact factor: 2.823

10.  Cell cycle regulation of chromatin binding and nuclear localization of human Cdc7-ASK kinase complex.

Authors:  Noriko Sato; Megumi Sato; Masahito Nakayama; Rika Saitoh; Ken-ichi Arai; Hisao Masai
Journal:  Genes Cells       Date:  2003-05       Impact factor: 1.891
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  2 in total

1.  Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.

Authors:  Yunsong Tong; Kent D Stewart; Alan S Florjancic; John E Harlan; Philip J Merta; Magdalena Przytulinska; Nirupama Soni; Kerren K Swinger; Haizhong Zhu; Eric F Johnson; Alexander R Shoemaker; Thomas D Penning
Journal:  ACS Med Chem Lett       Date:  2013-01-15       Impact factor: 4.345

2.  Enantioselective synthesis of quaternary 3,4-dihydroisoquinolinones via Heck carbonylation reactions: development and application to the synthesis of Minalrestat analogues.

Authors:  Cang Cheng; Bin Wan; Bo Zhou; Yichao Gu; Yanghui Zhang
Journal:  Chem Sci       Date:  2019-09-03       Impact factor: 9.825
  2 in total

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