Literature DB >> 19836948

Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.

Larry R McLean1, Ying Zhang, Hua Li, Ziyu Li, Ulrike Lukasczyk, Yong-Mi Choi, Zuoning Han, Joy Prisco, Jeremy Fordham, Joseph T Tsay, Stephan Reiling, Roy J Vaz, Yi Li.   

Abstract

Biochemical and X-ray crystallographic studies confirmed that hydroxyquinoline derivatives identified by virtual screening were actually covalent inhibitors of the MIF tautomerase. Adducts were formed by N-alkylation of the Pro-1 at the catalytic site with a loss of an amino group of the inhibitor.

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Year:  2009        PMID： 19836948     DOI： 10.1016/j.bmcl.2009.09.106

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


  9 in total

1.  Discovery of potent and selective inhibitors of human platelet-type 12- lipoxygenase.

Authors:  Victor Kenyon; Ganesha Rai; Ajit Jadhav; Lena Schultz; Michelle Armstrong; J Brian Jameson; Steven Perry; Netra Joshi; James M Bougie; William Leister; David A Taylor-Fishwick; Jerry L Nadler; Michael Holinstat; Anton Simeonov; David J Maloney; Theodore R Holman
Journal:  J Med Chem       Date:  2011-07-08       Impact factor: 7.446

2.  Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor.

Authors:  Vinay Trivedi-Parmar; William L Jorgensen
Journal:  J Med Chem       Date:  2018-06-04       Impact factor: 7.446

3.  Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.

Authors:  Georgios Pantouris; Leepakshi Khurana; Anthony Ma; Erin Skeens; Krystle Reiss; Victor S Batista; George P Lisi; Elias J Lolis
Journal:  Cell Chem Biol       Date:  2020-05-19       Impact factor: 8.116

4.  Discovery of novel MIF inhibitors that attenuate microglial inflammatory activation by structures-based virtual screening and in vitro bioassays.

Authors:  Yu Zhang; Lei Xu; Yao Zhang; Jie Pan; Pu-Qing Wang; Sheng Tian; Huan-Ting Li; Bo-Wen Gao; Ting-Jun Hou; Xue-Chu Zhen; Long-Tai Zheng
Journal:  Acta Pharmacol Sin       Date:  2021-08-24       Impact factor: 7.169

Review 5.  Biophysical Survey of Small-Molecule β-Catenin Inhibitors: A Cautionary Tale.

Authors:  Michael A McCoy; Dominique Spicer; Neil Wells; Kurt Hoogewijs; Marc Fiedler; Matthias G J Baud
Journal:  J Med Chem       Date:  2022-05-17       Impact factor: 8.039

6.  Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.

Authors:  Deepa Rajasekaran; Swen Zierow; Mansoor Syed; Richard Bucala; Vineet Bhandari; Elias J Lolis
Journal:  FASEB J       Date:  2014-07-11       Impact factor: 5.191

7.  Biochemical investigations of the mechanism of action of small molecules ZL006 and IC87201 as potential inhibitors of the nNOS-PDZ/PSD-95-PDZ interactions.

Authors:  Anders Bach; Søren W Pedersen; Liam A Dorr; Gary Vallon; Isabelle Ripoche; Sylvie Ducki; Lu-Yun Lian
Journal:  Sci Rep       Date:  2015-07-16       Impact factor: 4.379

8.  Small Molecule Microarrays Enable the Identification of a Selective, Quadruplex-Binding Inhibitor of MYC Expression.

Authors:  Kenneth M Felsenstein; Lindsey B Saunders; John K Simmons; Elena Leon; David R Calabrese; Shuling Zhang; Aleksandra Michalowski; Peter Gareiss; Beverly A Mock; John S Schneekloth
Journal:  ACS Chem Biol       Date:  2015-11-06       Impact factor: 5.100

9.  Characterization of Aminobenzylphenols as Protein Disulfide Isomerase Inhibitors in Glioblastoma Cell Lines.

Authors:  Andrea Shergalis; Ding Xue; Fatma Z Gharbia; Hannah Driks; Binita Shrestha; Amina Tanweer; Kirin Cromer; Mats Ljungman; Nouri Neamati
Journal:  J Med Chem       Date:  2020-09-11       Impact factor: 7.446
  9 in total

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