Molecular docking and QSAR of aplyronine A and analogues: Potent inhibitors of actin

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 1, 2010, Pages 1-15

  Hussain, Abrar ^a   Melville, James L ^b   Hirst, Jonathan D ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

^b Cresset BioMolecular Discovery Ltd   (United Kingdom)

Author keywords

3D QSAR; Aplyronine A; AutoDock; F actin depolymerisation; Macrolides

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; DRUG PRODUCTS; METABOLITES; MOLECULAR GRAPHICS; PROTEINS;

3D-QSAR; APLYRONINE A; AUTODOCK; F-ACTIN; F-ACTIN DEPOLYMERIZATION; MACROLIDES; MOLECULAR DOCKING; NATURAL PRODUCTS; POTENT INHIBITOR; QSAR MODEL;

PRODUCT DESIGN;

ACTIN; ANTINEOPLASTIC AGENT; APLYRONINE A; APLYRONINE A DERIVATIVE; APLYRONINE B; APLYRONINE C; KABIRAMIDE C; MACROLIDE; NATURAL PRODUCT; REIDISPONGIOLIDE A; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; DEPOLYMERIZATION; DRUG DESIGN; DRUG SYNTHESIS; MOLECULAR DOCKING; PREDICTION; PRIORITY JOURNAL; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMULATION;

EID: 76449114341     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-009-9307-y     Document Type: Article

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