Structure-activity relationships of thiostrepton derivatives: Implications for rational drug design

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 12, 2014, Pages 1205-1215

  Wolf, Antje ^a,b   Schoof, Sebastian ^c   Baumann, Sascha ^d   Arndt, Hans Dieter ^e   Kirschner, Karl N ^a,f  

^a FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI   (Germany)

^b Rheinische Friedrich Wilhelms Universität   (Germany)

^c BASF SE   (Germany)

^d SAARLAND UNIVERSITY   (Germany)

^e FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^f BONN RHEIN SIEG UNIVERSITY OF APPLIED SCIENCES   (Germany)

Author keywords

Antibiotics; Docking; GTPase associated region; MM PBSA; Thiostrepton

Indexed keywords

ANTIBIOTICS; BINDING ENERGY; CRYSTAL STRUCTURE; PROTEINS; RNA; SULFUR COMPOUNDS;

BACTERIAL RIBOSOMES; DOCKING; GTPASE-ASSOCIATED REGION; GTPASES; MM-PBSA; NATURALLY OCCURRING; RATIONAL DRUG DESIGNS; STRUCTURE-ACTIVITY RELATIONSHIPS; THIOPEPTIDE; THIOSTREPTON;

LIGANDS;

RIBOSOME RNA; THIOSTREPTON; PROTEIN BINDING;

ARTICLE; BINDING AFFINITY; CONFORMATION; CRYSTAL STRUCTURE; DECOMPOSITION; DISSOCIATION CONSTANT; DRUG BINDING SITE; DRUG DESIGN; DRUG RECEPTOR BINDING; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; RIBOSOME; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; MODELS, MOLECULAR; PROTEIN BINDING; RIBOSOMES; RNA, RIBOSOMAL; STRUCTURE-ACTIVITY RELATIONSHIP; THIOSTREPTON;

EID: 84921938659     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9797-0     Document Type: Article

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