Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds-Reference-Cited by-同舟云学术

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Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds

Published:2019-04-09 Issue:9 Volume:10 Page:2244-2249
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Tatum Natalie J.¹,Duarte Fernanda²^ORCID,Kamerlin Shina C. L.³^ORCID,Pohl Ehmke¹⁴⁵^ORCID

Affiliation:

1. Department of Chemistry, Durham University, South Road, Durham DH1 3LE, U.K.

2. Department of Chemistry, Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford OX1 3TA, U.K.

3. Department of Chemistry - BMC, Uppsala University, BMC Box 576, S-751 23 Uppsala, Sweden

4. Department of Biosciences, Durham University, Durham DH1 3LE, U.K.

5. Biophysical Sciences Institute, Durham University, Durham DH1 3LE, U.K.

Funder

European Molecular Biology Organization

Engineering and Physical Sciences Research Council

Swedish Foundation for International Cooperation in Research and Higher Education

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.9b00741

Reference36 articles.

1. Crystal Structure of the TetR/CamR Family Repressor Mycobacterium tuberculosis EthR Implicated in Ethionamide Resistance

2. EthR, a repressor of the TetR/CamR family implicated in ethionamide resistance in mycobacteria, octamerizes cooperatively on its operator

3. Structure of EthR in a Ligand Bound Conformation Reveals Therapeutic Perspectives against Tuberculosis

4. Insights into mechanisms of induction and ligands recognition in the transcriptional repressor EthR from Mycobacterium tuberculosis

5. Synthetic EthR inhibitors boost antituberculous activity of ethionamide

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