Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulations

European Journal of Medicinal Chemistry

Volumn 45, Issue 12, 2010, Pages 5585-5593

  Punkvang, Auradee ^a   Saparpakorn, Patchreenart ^b   Hannongbua, Supa ^b   Wolschann, Peter ^c   Beyer, Anton ^c   Pungpo, Pornpan ^a  

^a UBON RATCHATHANI UNIVERSITY   (Thailand)

^b KASETSART UNIVERSITY   (Thailand)

^c UNIVERSITY OF VIENNA   (Austria)

Author keywords

Arylamide; InhA; M. tuberculosis; Molecular dynamics simulations

Indexed keywords

AROMATIC AMIDE; LIGAND; OXIDOREDUCTASE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE;

ANTIBACTERIAL ACTIVITY; ARTICLE; BACTERIAL STRAIN; DRUG POTENCY; DRUG STRUCTURE; ENZYME BINDING; ENZYME INHIBITION; HYDROGEN BOND; MEMBRANE PERMEABILITY; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PROTEIN INTERACTION; SIMULATION;

AMIDES; ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; MYCOBACTERIUM TUBERCULOSIS; OXIDOREDUCTASES; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 78649325325     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.09.008     Document Type: Article

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