Molecular modeling analysis of the interaction of novel bis-cationic ligands with the lipid A moiety of lipopolysaccharide

Bioorganic and Medicinal Chemistry Letters

Volumn 16, Issue 3, 2006, Pages 714-717

  Guo, Jian Xin ^a   Wood, Stewart J ^a   David, Sunil A ^a   Lushington, Gerald H ^a  

^a UNIVERSITY OF KANSAS   (United States)

Author keywords

Docking; Endotoxin; Lipopolysaccharide; QSAR; Sepsis

Indexed keywords

AMINOGUANIDINE; CATION; GUANIDINE DERIVATIVE; LIGAND; LIPID A; LIPOPOLYSACCHARIDE; PHOSPHATE; RECEPTOR;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; CORRELATION ANALYSIS; ELECTRICITY; ENERGY; HIGH THROUGHPUT SCREENING; LIGAND BINDING; MOLECULAR MODEL; PROTEIN INTERACTION; SIMULATION;

AMIDINES; AMINES; BINDING SITES; CATIONS; COMPUTER SIMULATION; GUANIDINE; LIGANDS; LIPID A; LIPOPOLYSACCHARIDES; MODELS, MOLECULAR; STRUCTURE-ACTIVITY RELATIONSHIP;

NEGIBACTERIA;

EID: 29544443294     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2005.10.025     Document Type: Article

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