Stabilization of the Biologically Active Conformation of the Principal Neutralizing Determinant of HIV-1IIIBContaining acis-Proline Surrogate: 1H NMR and Molecular Modeling Study†

Biochemistry ◽  
2006 ◽  
Vol 45 (13) ◽  
pp. 4284-4294 ◽  
Author(s):  
Julian Garcia ◽  
Pascal Dumy ◽  
Osnat Rosen ◽  
Jacob Anglister
Keyword(s):  
Molecular Modeling ◽  
1H Nmr ◽  
Biologically Active ◽  
Active Conformation ◽  
Molecular Modeling Study ◽  
Biologically Active Conformation ◽  
Modeling Study

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

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

Synthesis, molecular modeling study, preliminary antibacterial, and antitumor evaluation of N-substituted naphthalimides and their structural analogues

2012 ◽  
Vol 22 (5) ◽  
pp. 2360-2375 ◽  
Author(s):  
Adel S. El-Azab ◽  
Amer M. Alanazi ◽  
Naglaa I. Abdel-Aziz ◽  
Ibrahim A. Al-Suwaidan ◽  
Magda A. A. El-Sayed ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Molecular Modeling Study ◽  
Structural Analogues ◽  
Antitumor Evaluation ◽  
Modeling Study
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