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