Literature DB >> 20153645

Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.

Larry R McLean1, Ying Zhang, William Degnen, Jane Peppard, Dasha Cabel, Chao Zou, Joseph T Tsay, Arun Subramaniam, Roy J Vaz, Yi Li.   

Abstract

Amino-benzoic acid derivatives 1-4 were found to be inhibitors for DHODH by virtual screening, biochemical, and X-ray crystallographic studies. X-ray structures showed that 1 and 2 bind to DHODH as predicted by virtual screening, but 3 and 4 were found to be structurally different from the corresponding compounds initially identified by virtual screening. Copyright 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID: 20153645     DOI: 10.1016/j.bmcl.2010.01.115

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


  2 in total

1.  Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.

Authors:  Evan R Abt; Ethan W Rosser; Matthew A Durst; Vincent Lok; Soumya Poddar; Thuc M Le; Arthur Cho; Woosuk Kim; Liu Wei; Janet Song; Joseph R Capri; Shili Xu; Nanping Wu; Roger Slavik; Michael E Jung; Robert Damoiseaux; Johannes Czernin; Timothy R Donahue; Arnon Lavie; Caius G Radu
Journal:  Cell Chem Biol       Date:  2019-11-13       Impact factor: 8.116

Review 2.  The role of protein structural analysis in the next generation sequencing era.

Authors:  Wyatt W Yue; D Sean Froese; Paul E Brennan
Journal:  Top Curr Chem       Date:  2014
  2 in total

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