Hydrolytic inhibition of α-chymotrypsin by 2,8,14,20-tetrakis(d-leucyl-d-valinamido)resorc[4]arenecarboxylic acid: a spectroscopic NMR and computational combined approach

2015 ◽  
Vol 13 (3) ◽  
pp. 916-924 ◽  
Author(s):  
Gloria Uccello-Barretta ◽  
Federica Balzano ◽  
Federica Aiello ◽  
Letizia Vanni ◽  
Mattia Mori ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Combined Approach ◽  
Arene Derivative

A rationale for the inhibition of hydrolytic efficiency of α-chymotrypsin by a resorcin[4]arene derivative was obtained by NMR spectroscopy and molecular modeling.

Conformational Isomerism of 3-Chalcogenomethyl-N-Methyl-2-Pyrrolidinones: Insights from NMR Spectroscopy and Molecular Modeling

2020 ◽  
Vol 124 (41) ◽  
pp. 8509-8518
Author(s):  
Ulisses Zonta de Melo ◽  
Cleverton de Souza Fernandes ◽  
Camila Botin Francisco ◽  
Tânia Cristina Carini ◽  
Gisele de Freitas Gauze ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Conformational Isomerism

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

Elucidation of the Structure and Intermolecular Interactions of a Reversible Cyclic-Peptide Inhibitor of the Proteasome by NMR Spectroscopy and Molecular Modeling

2010 ◽  
Vol 122 (23) ◽  
pp. 4026-4030 ◽  
Author(s):  
Benjamin Stauch ◽  
Bernd Simon ◽  
Teodora Basile ◽  
Gisbert Schneider ◽  
Nisar P. Malek ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Intermolecular Interactions ◽  
Cyclic Peptide ◽  
Peptide Inhibitor
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