Molecular docking study for the prediction of enantiodifferentiation of chiral styrene oxides by octakis(2,3-di-O-acetyl-6-O-tert-butyldimethylsilyl)-γ-cyclodextrin

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 6, 2010, Pages 506-512

  Issaraseriruk, Natthapol ^a   Shitangkoon, Aroonsiri ^a   Aree, Thammarat ^a  

^a CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

Cyclodextrin; Enantiodifferentiation; Inclusion complexation; Molecular docking; PM3; Styrene oxides

Indexed keywords

ENANTIO-DIFFERENTIATION; INCLUSION COMPLEXATION; MOLECULAR DOCKING; PM3; STYRENE OXIDE;

BINDING ENERGY; CHIRALITY; DOCKING; DRUG INTERACTIONS; ENANTIOMERS; LIQUID CHROMATOGRAPHY; MOLECULAR MODELING; NUCLEAR ENERGY; OXIDES; POTENTIAL ENERGY; STRUCTURAL OPTIMIZATION; STYRENE; VAN DER WAALS FORCES;

COMPLEXATION;

GAMMA CYCLODEXTRIN DERIVATIVE; OCTAKIS(2,3 DI O ACETYL 6 O TERT BUTYLDIMETHYLSILYL)GAMMA CYCLODEXTRIN; STYRENE OXIDE; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CALCULATION; CHIRALITY; CHROMATOGRAPHY; COMPLEX FORMATION; ENANTIOMER; ENERGY; FORCE; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PRIORITY JOURNAL;

EPOXY COMPOUNDS; GAMMA-CYCLODEXTRINS; MODELS, MOLECULAR; ORGANOSILICON COMPOUNDS; STEREOISOMERISM; THERMODYNAMICS;

EID: 74649086161     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.11.005     Document Type: Article

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