Literature DB >> 33870988

19F-Tagged metal binding pharmacophores for NMR screening of metalloenzymes.

Kathleen E Prosser1, Alysia J Kohlbrand1, Hyeonglim Seo1, Mark Kalaj1, Seth M Cohen1.   

Abstract

This study demonstrates the screening of a collection of twelve 19F-tagged metal-binding pharmacophores (MBPs) against the Zn(ii)-dependent metalloenzyme human carbonic anhydrase II (hCAII) by 19F NMR. The isomorphous replacement of Zn(ii) by Co(ii) in hCAII produces enhanced sensitivity and reveals the potential of 19F NMR-based techniques for metalloenzyme ligand discovery.

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Year:  2021        PMID： 33870988      PMCID： PMC8137660          DOI： 10.1039/d1cc01231b

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  33 in total

1.  Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to proteins.

Authors:  Tobias Tengel; Tomas Fex; Hans Emtenas; Fredrik Almqvist; Ingmar Sethson; Jan Kihlberg
Journal:  Org Biomol Chem       Date:  2004-02-03       Impact factor: 3.876

2.  Fragment based drug discovery: practical implementation based on ¹⁹F NMR spectroscopy.

Authors:  John B Jordan; Leszek Poppe; Xiaoyang Xia; Alan C Cheng; Yax Sun; Klaus Michelsen; Heather Eastwood; Paul D Schnier; Thomas Nixey; Wenge Zhong
Journal:  J Med Chem       Date:  2012-01-11       Impact factor: 7.446

3.  Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Authors:  Jennifer A Jacobsen; Jessica L Fullagar; Melissa T Miller; Seth M Cohen
Journal:  J Med Chem       Date:  2010-12-28       Impact factor: 7.446

4.  Sensitivity improvement in 19F NMR-based screening experiments: theoretical considerations and experimental applications.

Authors:  Claudio Dalvit; Nicola Mongelli; Gianluca Papeo; Patrizia Giordano; Marina Veronesi; Detlef Moskau; Rainer Kümmerle
Journal:  J Am Chem Soc       Date:  2005-09-28       Impact factor: 15.419

5.  Metal-Binding Pharmacophore Library Yields the Discovery of a Glyoxalase 1 Inhibitor.

Authors:  Christian Perez; Amanda M Barkley-Levenson; Benjamin L Dick; Peter F Glatt; Yadira Martinez; Dionicio Siegel; Jeremiah D Momper; Abraham A Palmer; Seth M Cohen
Journal:  J Med Chem       Date:  2019-01-31       Impact factor: 7.446

Review 6.  Impact of high-throughput screening in biomedical research.

Authors:  Ricardo Macarron; Martyn N Banks; Dejan Bojanic; David J Burns; Dragan A Cirovic; Tina Garyantes; Darren V S Green; Robert P Hertzberg; William P Janzen; Jeff W Paslay; Ulrich Schopfer; G Sitta Sittampalam
Journal:  Nat Rev Drug Discov       Date:  2011-03       Impact factor: 84.694

Review 7.  Biophysics in drug discovery: impact, challenges and opportunities.

Authors:  Jean-Paul Renaud; Chun-Wa Chung; U Helena Danielson; Ursula Egner; Michael Hennig; Roderick E Hubbard; Herbert Nar
Journal:  Nat Rev Drug Discov       Date:  2016-08-12       Impact factor: 84.694

8.  Iminodiacetic Acid as a Novel Metal-Binding Pharmacophore for New Delhi Metallo-β-lactamase Inhibitor Development.

Authors:  Allie Y Chen; Caitlyn A Thomas; Pei W Thomas; Kundi Yang; Zishuo Cheng; Walter Fast; Michael W Crowder; Seth M Cohen
Journal:  ChemMedChem       Date:  2020-05-07       Impact factor: 3.466

9.  Inhibition profiling of human carbonic anhydrase II by high-throughput screening of structurally diverse, biologically active compounds.

Authors:  Rema Iyer; Albert A Barrese; Shilpa Parakh; Christian N Parker; Brian C Tripp
Journal:  J Biomol Screen       Date:  2006-07-20

10.  Efficient synthetic inhibitors of anthrax lethal factor.

Authors:  Martino Forino; Sherida Johnson; Thiang Y Wong; Dmitri V Rozanov; Alexei Y Savinov; Wei Li; Roberto Fattorusso; Barbara Becattini; Andrew J Orry; Dawoon Jung; Ruben A Abagyan; Jeffrey W Smith; Ken Alibek; Robert C Liddington; Alex Y Strongin; Maurizio Pellecchia
Journal:  Proc Natl Acad Sci U S A       Date:  2005-06-27       Impact factor: 11.205
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