scholarly journals Structural studies of coenzyme Q10 inclusion complex with g-cyclodextrin using chemical analyses and molecular modeling

2009 ◽  
Vol 9 ◽  
pp. 1-11 ◽  
Author(s):  
Shuichi Miyamoto ◽  
Akito Kawai ◽  
Shigesada Higuchi ◽  
Yuki Nishi ◽  
Toshiko Tanimoto ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inclusion Complex ◽  
Coenzyme Q10 ◽  
Structural Studies ◽  
Chemical Analyses

Investigation of the α-cyclodextrin-myo-inositol phosphate inclusion complex by NMR spectroscopy and molecular modeling

1996 ◽  
Vol 287 (1) ◽  
pp. 21-35 ◽  
Author(s):  
Serge Crouzy ◽  
Florence Fauvelle ◽  
Jean-Claude Debouzy ◽  
Mathias Göschl ◽  
Yves Chapron
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Inclusion Complex ◽  
Inositol Phosphate

Nuclear Magnetic Resonance Structural Studies and Molecular Modeling of Duplex DNA Containing Normal and 4‘-Oxidized Abasic Sites†,‡

Biochemistry ◽  
2007 ◽  
Vol 46 (11) ◽  
pp. 3096-3107 ◽  
Author(s):  
Jingyang Chen ◽  
François-Yves Dupradeau ◽  
David A. Case ◽  
Christopher J. Turner ◽  
JoAnne Stubbe
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Molecular Modeling ◽  
Magnetic Resonance ◽  
Duplex Dna ◽  
Structural Studies ◽  
Abasic Sites ◽  
Nuclear Magnetic

Preparation, characterization and molecular modeling studies of the inclusion complex of Caffeine with Beta-cyclodextrin

2015 ◽  
Vol 1099 ◽  
pp. 616-624 ◽  
Author(s):  
Samikannu Prabu ◽  
Meenakshisundaram Swaminathan ◽  
Krishnamoorthy Sivakumar ◽  
Rajaram Rajamohan
Keyword(s):  
Molecular Modeling ◽  
Inclusion Complex ◽  
Beta Cyclodextrin ◽  
Modeling Studies ◽  
Molecular Modeling Studies

scholarly journals Molecular modeling and structural studies of 12-mer immobile four-way DNA junction in solution

2014 ◽  
Vol 10 (7) ◽  
pp. 394-400 ◽  
Author(s):  
Ramesh Kumar Yadav ◽  
◽  
Umesh Yadava ◽  
Keyword(s):  
Molecular Modeling ◽  
Structural Studies

scholarly journals Physicochemical Analysis and Molecular Modeling of the Fosinoprilβ-Cyclodextrin Inclusion Complex

2014 ◽  
Vol 2014 ◽  
pp. 1-14 ◽  
Author(s):  
Lucreția Udrescu ◽  
Laura Sbârcea ◽  
Adriana Fuliaș ◽  
Ionuț Ledeți ◽  
Gabriela Vlase ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Solid State ◽  
Inclusion Complex ◽  
Physicochemical Analysis ◽  
Variation Method ◽  
X Ray ◽  
Cyclodextrin Inclusion ◽  
Kneading Method ◽  
Modeling Techniques ◽  
Complexation Mechanism

This research investigates the interaction between fosinopril sodium (FOS) and beta-cyclodextrin (β-CD) in aqueous solution and in solid state, in order to prove the formation of an inclusion complex between the two components. The stoichiometry of the inclusion complex was found as 1 : 1 by employing continuous variation method in UV. The formation constant was calculated as 278.93 M−1using Benesi-Hildebrand equation. The kneaded product (KP) and the physical mixture (PM) were further experimentally examined, using FTIR, powder X-ray diffractometry, and thermal analysis. The results confirm that the physicochemical properties of the FOS/β-CD KP are different from FOS and that the kneading method leads to formation of solid state inclusion complex between FOS andβ-CD. Structural studies of the FOS/β-CD were carried out using molecular modeling techniques, in order to explain the complexation mechanism and the host-guest geometry.

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