Rational design of InhA inhibitors in the class of diphenyl ether derivatives as potential anti-tubercular agents using molecular dynamics simulations
Keywords: Anti-tuberculosis agents; Diphenyl ether derivatives; InhA inhibitors; MD simulations; MM-PBSA
Document Type: Research Article
Affiliations: 1: Department of Chemistry, Faculty of Science, Ubon Ratchathani University, Ubonratchathani, Thailand 2: Faculty of Liberal Arts and Sciences, Nakhon Phanom University, Nakhon Phanom, Thailand 3: Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, Thailand 4: Institute for Theoretical Chemistry, University of Vienna, Vienna, Austria 5: Department of Electrical and Computer Engineering Faculty of Engineering, Thammasat University, Phatumtani, Thailand 6: National Center for Genetic Engineering and Biotechnology (BIOTEC), National Science and Technology Development Agency, Pathumthani, Thailand
Publication date: 03 June 2014
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