Quantitative three dimensional structure linear interaction energy model of 5′-O-[N-(salicyl)sulfamoyl]adenosine and the aryl acid adenylating enzyme MbtA

Journal of Medicinal Chemistry

Volumn 51, Issue 22, 2008, Pages 7154-7160

  Labello, Nicholas P ^a   Bennett, Eric M ^a   Ferguson, David M ^a,b   Aldrich, Courtney C ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

5 O [N (SALICYL)SULFAMOYL] ADENOSINE; ADENOSINE PHOSPHATE; ANTIINFECTIVE AGENT; ENZYME INHIBITOR; LIGAND; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; UNCLASSIFIED DRUG;

ADENYLATION; ARTICLE; BINDING AFFINITY; DRUG STRUCTURE; ENZYME SUBSTRATE; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; SIMULATION; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

ADENOSINE; ANTITUBERCULAR AGENTS; COMPUTER SIMULATION; ENZYME INHIBITORS; HYDROGEN BONDING; LIGANDS; LIGASES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; REPRODUCIBILITY OF RESULTS; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 56749092183     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm800668u     Document Type: Article

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33. The synthesis, characterization, and biological activity of this compound are given in the Supporting Information.