Quantification of free ligand conformational preferences by NMR and their relationship to the bioactive conformation

Bioorganic and Medicinal Chemistry

Volumn 21, Issue 17, 2013, Pages 4976-4987

  Blundell, Charles D ^a   Packer, Martin J ^b   Almond, Andrew ^a,c  

^a C4X Discovery Ltd Unit 310 Ducie House   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

^c UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Aminoglycoside; Antibiotic 30S ribosomal subunit; Bioactive conformation; Ligand binding; NMR; Pharmacophore; Preorganization; Solution conformation; Streptomycin; Virtual screening

Indexed keywords

AMINOGLYCOSIDE; LIGAND; SOLVENT; STREPTOMYCIN;

ARTICLE; COMPUTATIONAL FLUID DYNAMICS; CONFORMATIONAL TRANSITION; CRYSTALLOGRAPHY; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; MEASUREMENT ACCURACY; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; PHARMACOPHORE; PROTEIN STRUCTURE; RIBOSOME SUBUNIT; STRUCTURE ACTIVITY RELATION;

30S RIBOSOMAL SUBUNIT; AMINOGLYCOSIDE; ANTIBIOTIC; BIOACTIVE CONFORMATION; CAMBRIDGE STRUCTURAL DATABASE; CSD; LIGAND BINDING; NMR; NOE; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER ENHANCEMENT; PDB; PHARMACOPHORE; PREORGANIZATION; PROTEIN DATA BANK; SOLUTION CONFORMATION; STREPTOMYCIN; VIRTUAL SCREENING;

DRUG DESIGN; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; STREPTOMYCIN; WATER;

EID: 84881374598     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2013.06.056     Document Type: Article

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