Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations-Reference-Cited by-同舟云学术

Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations

Published:2017-10-17 Issue:12 Volume:36 Page:3184-3198
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Saxena Shalini¹,Abdullah Maaged¹,Sriram Dharmarajan²,Guruprasad Lalitha¹

Affiliation:

1. School of Chemistry, University of Hyderabad, Hyderabad 500046, India

2. Computer Aided Drug Design Laboratory, Department of Pharmacy, Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Hyderabad 500078, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2017.1384398

Reference34 articles.

1. Structure, function and biosynthesis of the Mycobacterium tuberculosis cell wall: arabinogalactan and lipoarabinomannan assembly with a view to discovering new drug targets

2. A MurG assay which utilises a synthetic analogue of lipid I

3. Verification of protein structures: Patterns of nonbonded atomic interactions

4. Particle mesh Ewald: AnN⋅log(N) method for Ewald sums in large systems

5. Bedaquiline: A new drug approved for treatment of multidrug-resistant tuberculosis

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