Literature DB >> 20137931

Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode.

Marvin J Meyers1, Matthew Pelc, Satwik Kamtekar, Jacqueline Day, Gennadiy I Poda, Molly K Hall, Marshall L Michener, Beverly A Reitz, Karl J Mathis, Betsy S Pierce, Mihir D Parikh, Deborah A Mischke, Scott A Long, John J Parlow, David R Anderson, Atli Thorarensen.   

Abstract

The work described herein demonstrates the utility of structure-based drug design (SBDD) in shifting the binding mode of an HTS hit from a DFG-in to a DFG-out binding mode resulting in a class of novel potent CSF-1R kinase inhibitors suitable for lead development. Copyright 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID: 20137931     DOI: 10.1016/j.bmcl.2010.01.078

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


  6 in total

1.  Identifying three-dimensional structures of autophosphorylation complexes in crystals of protein kinases.

Authors:  Qifang Xu; Kimberly L Malecka; Lauren Fink; E Joseph Jordan; Erin Duffy; Samuel Kolander; Jeffrey R Peterson; Roland L Dunbrack
Journal:  Sci Signal       Date:  2015-12-01       Impact factor: 8.192

Review 2.  Colony-stimulating factor 1 receptor signaling in the central nervous system and the potential of its pharmacological inhibitors to halt the progression of neurological disorders.

Authors:  Prashant Tarale; Mahabub Maraj Alam
Journal:  Inflammopharmacology       Date:  2022-03-15       Impact factor: 4.473

3.  A theoretical entropy score as a single value to express inhibitor selectivity.

Authors:  Joost C M Uitdehaag; Guido J R Zaman
Journal:  BMC Bioinformatics       Date:  2011-04-12       Impact factor: 3.169

4.  Homology modeling of DFG-in FMS-like tyrosine kinase 3 (FLT3) and structure-based virtual screening for inhibitor identification.

Authors:  Yi-Yu Ke; Vivek Kumar Singh; Mohane Selvaraj Coumar; Yung Chang Hsu; Wen-Chieh Wang; Jen-Shin Song; Chun-Hwa Chen; Wen-Hsing Lin; Szu-Huei Wu; John T A Hsu; Chuan Shih; Hsing-Pang Hsieh
Journal:  Sci Rep       Date:  2015-06-29       Impact factor: 4.379

5.  Differential effects of CSF-1R D802V and KIT D816V homologous mutations on receptor tertiary structure and allosteric communication.

Authors:  Priscila Da Silva Figueiredo Celestino Gomes; Nicolas Panel; Elodie Laine; Pedro Geraldo Pascutti; Eric Solary; Luba Tchertanov
Journal:  PLoS One       Date:  2014-05-14       Impact factor: 3.240

6.  Bioinformatics analysis to identify key genes and pathways influencing synovial inflammation in osteoarthritis.

Authors:  Jie Lin; Guangwen Wu; Zhongsheng Zhao; Yanfeng Huang; Jun Chen; Changlong Fu; Jinxia Ye; Xianxiang Liu
Journal:  Mol Med Rep       Date:  2018-10-23       Impact factor: 2.952

  6 in total

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