Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulations
- 31 December 2010
- journal article
- Published by Elsevier BV in European Journal of Medicinal Chemistry
- Vol. 45 (12), 5585-5593
- https://doi.org/10.1016/j.ejmech.2010.09.008
Abstract
No abstract availableKeywords
This publication has 54 references indexed in Scilit:
- Elucidating the Inhibition Mechanism of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors through Multicopy Molecular Dynamics SimulationsJournal of Molecular Biology, 2009
- Triclosan Derivatives: Towards Potent Inhibitors of Drug‐Sensitive and Drug‐Resistant Mycobacterium tuberculosisChemMedChem, 2009
- Synthesis and in vitro antimycobacterial activity of B-ring modified diaryl ether InhA inhibitorsBioorganic & Medicinal Chemistry Letters, 2008
- Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamidesBioorganic & Medicinal Chemistry, 2007
- Antibacterial targets in fatty acid biosynthesisCurrent Opinion in Microbiology, 2007
- Targeting Fatty Acid Biosynthesis for the Development of Novel Chemotherapeutics against Mycobacterium tuberculosis : Evaluation of A-Ring-Modified Diphenyl Ethers as High-Affinity InhA InhibitorsAntimicrobial Agents and Chemotherapy, 2007
- Pyrrolidine Carboxamides as a Novel Class of Inhibitors of Enoyl Acyl Carrier Protein Reductase from Mycobacterium tuberculosisJournal of Medicinal Chemistry, 2006
- GROMACS: Fast, flexible, and freeJournal of Computational Chemistry, 2005
- Development and testing of a general amber force fieldJournal of Computational Chemistry, 2004
- GROMACS: A message-passing parallel molecular dynamics implementationComputer Physics Communications, 1995