Literature DB >> 24035486

REDOR NMR for drug discovery.

Lynette Cegelski1.   

Abstract

Rotational-echo double-resonance (REDOR) NMR is a powerful and versatile solid-state NMR measurement that has been recruited to elucidate drug modes of action and to drive the design of new therapeutics. REDOR has been implemented to examine composition, structure, and dynamics in diverse macromolecular and whole-cell systems, including taxol-bound microtubules, enzyme-cofactor-inhibitor ternary complexes, and antibiotic-whole-cell complexes. The REDOR approach involves the integrated design of specific isotopic labeling strategies and the selection of appropriate REDOR experiments. By way of example, this digest illustrates the versatility of the REDOR approach, with an emphasis on the practical considerations of experimental design and data interpretation.
Copyright © 2013 Elsevier Ltd. All rights reserved.

Entities:  

Keywords:  Drug discovery; REDOR; Solid-state NMR; Taxol; Vancomycin; Whole-cell NMR

Mesh:

Substances:

Year:  2013        PMID: 24035486      PMCID: PMC4038398          DOI: 10.1016/j.bmcl.2013.08.064

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


  36 in total

1.  Structure of (KIAGKIA)3 aggregates in phospholipid bilayers by solid-state NMR.

Authors:  Orsolya Toke; R D O'Connor; Thomas K Weldeghiorghis; W Lee Maloy; Ralf W Glaser; Anne S Ulrich; Jacob Schaefer
Journal:  Biophys J       Date:  2004-07       Impact factor: 4.033

2.  Chain packing in polycarbonate glasses.

Authors:  Dirk Stueber; Tsyr-Yan Yu; Berk Hess; Kurt Kremer; Robert D O'Connor; Jacob Schaefer
Journal:  J Chem Phys       Date:  2010-03-14       Impact factor: 3.488

3.  Conformation of microtubule-bound paclitaxel determined by fluorescence spectroscopy and REDOR NMR.

Authors:  Y Li; B Poliks; L Cegelski; M Poliks; Z Gryczynski; G Piszczek; P G Jagtap; D R Studelska; D G Kingston; J Schaefer; S Bane
Journal:  Biochemistry       Date:  2000-01-18       Impact factor: 3.162

4.  Solid-state NMR and molecular dynamics simulations reveal the oligomeric ion-channels of TM2-GABA(A) stabilized by intermolecular hydrogen bonding.

Authors:  Senthil K Kandasamy; Dong-Kuk Lee; Ravi P R Nanga; Jiadi Xu; Jose S Santos; Ronald G Larson; Ayyalusamy Ramamoorthy
Journal:  Biochim Biophys Acta       Date:  2008-11-21

5.  Membrane-bound dimer structure of a beta-hairpin antimicrobial peptide from rotational-echo double-resonance solid-state NMR.

Authors:  R Mani; M Tang; X Wu; J J Buffy; A J Waring; M A Sherman; M Hong
Journal:  Biochemistry       Date:  2006-07-11       Impact factor: 3.162

6.  Rotational-echo double resonance characterization of vancomycin binding sites in Staphylococcus aureus.

Authors:  Sung Joon Kim; Lynette Cegelski; Daniel R Studelska; Robert D O'Connor; Anil K Mehta; Jacob Schaefer
Journal:  Biochemistry       Date:  2002-06-04       Impact factor: 3.162

7.  Rotational echo double resonance detection of cross-links formed in mussel byssus under high-flow stress.

Authors:  L M McDowell; L A Burzio; J H Waite; J Schaefer
Journal:  J Biol Chem       Date:  1999-07-16       Impact factor: 5.157

8.  Comparative analysis of membrane-associated fusion peptide secondary structure and lipid mixing function of HIV gp41 constructs that model the early pre-hairpin intermediate and final hairpin conformations.

Authors:  Kelly Sackett; Matthew J Nethercott; Raquel F Epand; Richard M Epand; Douglas R Kindra; Yechiel Shai; David P Weliky
Journal:  J Mol Biol       Date:  2010-01-18       Impact factor: 5.469

9.  Rotational-echo double-resonance NMR-restrained model of the ternary complex of 5-enolpyruvylshikimate-3-phosphate synthase.

Authors:  Lynda M McDowell; Barbara Poliks; Daniel R Studelska; Robert D O'Connor; Denise D Beusen; Jacob Schaefer
Journal:  J Biomol NMR       Date:  2004-01       Impact factor: 2.835

10.  Structure of a quinobenzoxazine--G-quadruplex complex by REDOR NMR.

Authors:  Anil K Mehta; Yuda Shayo; Hariprasad Vankayalapati; Laurence H Hurley; Jacob Schaefer
Journal:  Biochemistry       Date:  2004-09-28       Impact factor: 3.162

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  14 in total

1.  Spectral comparisons of mammalian cells and intact organelles by solid-state NMR.

Authors:  Sabrina H Werby; Lynette Cegelski
Journal:  J Struct Biol       Date:  2018-05-30       Impact factor: 2.867

2.  The development of solid-state NMR of membrane proteins.

Authors:  Stanley J Opella
Journal:  Biomed Spectrosc Imaging       Date:  2014

3.  Closed and Semiclosed Interhelical Structures in Membrane vs Closed and Open Structures in Detergent for the Influenza Virus Hemagglutinin Fusion Peptide and Correlation of Hydrophobic Surface Area with Fusion Catalysis.

Authors:  Ujjayini Ghosh; Li Xie; Lihui Jia; Shuang Liang; David P Weliky
Journal:  J Am Chem Soc       Date:  2015-06-10       Impact factor: 15.419

4.  1H-Detected REDOR with Fast Magic-Angle Spinning of a Deuterated Protein.

Authors:  Manali Ghosh; Chad M Rienstra
Journal:  J Phys Chem B       Date:  2017-08-31       Impact factor: 2.991

Review 5.  Bacterial cell wall composition and the influence of antibiotics by cell-wall and whole-cell NMR.

Authors:  Joseph A H Romaniuk; Lynette Cegelski
Journal:  Philos Trans R Soc Lond B Biol Sci       Date:  2015-10-05       Impact factor: 6.237

6.  Rapid measurement of long-range distances in proteins by multidimensional 13C-19F REDOR NMR under fast magic-angle spinning.

Authors:  Alexander A Shcherbakov; Mei Hong
Journal:  J Biomol NMR       Date:  2018-05-21       Impact factor: 2.835

7.  Cholesterol-Induced Conformational Change in the Sphingomyelin Headgroup.

Authors:  Shinya Hanashima; Kazuhiro Murakami; Michihiro Yura; Yo Yano; Yuichi Umegawa; Hiroshi Tsuchikawa; Nobuaki Matsumori; Sangjae Seo; Wataru Shinoda; Michio Murata
Journal:  Biophys J       Date:  2019-06-25       Impact factor: 4.033

8.  Whole Ribosome NMR: Dipolar Couplings and Contributions to Whole Cells.

Authors:  Rie Nygaard; Joseph A H Romaniuk; David M Rice; Lynette Cegelski
Journal:  J Phys Chem B       Date:  2017-09-29       Impact factor: 2.991

Review 9.  NMR structures of membrane proteins in phospholipid bilayers.

Authors:  Jasmina Radoicic; George J Lu; Stanley J Opella
Journal:  Q Rev Biophys       Date:  2014-07-17       Impact factor: 5.318

Review 10.  Membrane protein structure from rotational diffusion.

Authors:  Bibhuti B Das; Sang Ho Park; Stanley J Opella
Journal:  Biochim Biophys Acta       Date:  2014-04-18
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