Comparative 1H NMR and molecular modeling study of hydroxy protons of β-d-Galp-(1→4)-β-d-GlcpNAc-(1→2)-α-d-Manp-(1→O)(CH2)7CH3 analogues in aqueous solution

2007 ◽  
Vol 342 (3-4) ◽  
pp. 597-609 ◽  
Author(s):  
Philippe F. Rohfritsch ◽  
Martin Frank ◽  
Corine Sandström ◽  
Lennart Kenne ◽  
Johannes F.G. Vliegenthart ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Molecular Modeling ◽  
1H Nmr ◽  
Molecular Modeling Study ◽  
Modeling Study

NMR and molecular modeling study of the conformations of taxol and of its side chain methylester in aqueous and non-aqueous solution.

Tetrahedron ◽  
1993 ◽  
Vol 49 (30) ◽  
pp. 6545-6560 ◽  
Author(s):  
Howard J. Williams ◽  
A.Ian Scott ◽  
Reiner A. Dieden ◽  
Charles S. Swindell ◽  
Lisa E. Chirlian ◽  
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Keyword(s):  
Aqueous Solution ◽  
Molecular Modeling ◽  
Side Chain ◽  
Molecular Modeling Study ◽  
Modeling Study

scholarly journals Molecular modeling study, synthesis and biological evaluation of combretastatin A-4 analogues as anticancer agents and tubulin inhibitors

MedChemComm ◽  
2018 ◽  
Vol 9 (2) ◽  
pp. 316-327 ◽  
Author(s):  
Yang Ping Quan ◽  
Li Ping Cheng ◽  
Tian Chi Wang ◽  
Wan Pang ◽  
Fan Hong Wu ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Anticancer Agents ◽  
Hepg2 Cells ◽  
Binding Mode ◽  
Biological Evaluation ◽  
Tubulin Inhibitors ◽  
Molecular Modeling Study ◽  
Synthesis And Biological Evaluation ◽  
Modeling Study

Compound 13a, more effective than CA-4 against HepG2 cells and tubulin, and the proposed binding mode for 13a.

Oxazolidine-2-thiones: a molecular modeling study

2004 ◽  
Vol 45 (33) ◽  
pp. 6269-6272 ◽  
Author(s):  
Neha Gandhi ◽  
Brijesh K. Srivastava ◽  
Vidya B. Lohray ◽  
Braj B. Lohray
Keyword(s):  
Molecular Modeling ◽  
Molecular Modeling Study ◽  
Modeling Study
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