Literature DB >> 20185308

Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.

Larry R McLean1, Ying Zhang, Hua Li, Yong-Mi Choi, Zuoning Han, Roy J Vaz, Yi Li.   

Abstract

In the course of a fragment screening campaign by in silico docking followed by X-ray crystallography, a novel binding site for migration inhibitory factor (MIF) inhibitors was demonstrated. The site is formed by rotation of the side-chain of Tyr-36 to reveal a surface binding site in MIF that is hydrophobic and surrounded by aromatic side-chain residues. The crystal structures of two small inhibitors that bind to this site and of a quinolinone inhibitor, that spans the canonical deep pocket near Pro-1 and the new surface binding site, have been solved. These results suggest new opportunities for structure-based design of MIF inhibitors. Copyright 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID： 20185308     DOI： 10.1016/j.bmcl.2010.02.009

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


  10 in total

1.  Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF).

Authors:  Alissa A Hare; Lin Leng; Sunilkumar Gandavadi; Xin Du; Zoe Cournia; Richard Bucala; William L Jorgensen
Journal:  Bioorg Med Chem Lett       Date:  2010-08-03       Impact factor: 2.823

2.  Receptor agonists of macrophage migration inhibitory factor.

Authors:  William L Jorgensen; Sunilkumar Gandavadi; Xin Du; Alissa A Hare; Alexander Trofimov; Lin Leng; Richard Bucala
Journal:  Bioorg Med Chem Lett       Date:  2010-09-29       Impact factor: 2.823

3.  Macrophage migration inhibitory factor covalently complexed with phenethyl isothiocyanate.

Authors:  Joel D A Tyndall; Hongqi Lue; Malcolm T Rutledge; Jurgen Bernhagen; Mark B Hampton; Sigurd M Wilbanks
Journal:  Acta Crystallogr Sect F Struct Biol Cryst Commun       Date:  2012-08-29

4.  Drug repositioning and pharmacophore identification in the discovery of hookworm MIF inhibitors.

Authors:  Yoonsang Cho; Jon J Vermeire; Jane S Merkel; Lin Leng; Xin Du; Richard Bucala; Michael Cappello; Elias Lolis
Journal:  Chem Biol       Date:  2011-09-23

5.  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

6.  Benzisothiazolones as modulators of macrophage migration inhibitory factor.

Authors:  William L Jorgensen; Alexander Trofimov; Xin Du; Alissa A Hare; Lin Leng; Richard Bucala
Journal:  Bioorg Med Chem Lett       Date:  2011-06-12       Impact factor: 2.823

7.  Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.

Authors:  Georgios Pantouris; Junming Ho; Dilip Shah; Mansoor Ali Syed; Lin Leng; Vineet Bhandari; Richard Bucala; Victor S Batista; J Patrick Loria; Elias J Lolis
Journal:  Angew Chem Int Ed Engl       Date:  2018-05-09       Impact factor: 15.336

8.  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

9.  Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor.

Authors:  Pawel Dziedzic; José A Cisneros; Michael J Robertson; Alissa A Hare; Nadia E Danford; Richard H G Baxter; William L Jorgensen
Journal:  J Am Chem Soc       Date:  2015-02-20       Impact factor: 15.419

10.  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
  10 in total

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