Aminequinone-hydroxylquinoneimine tautomeric equilibrium revisited: molecular modeling study of the tautomeric equilibrium and substituent effects in 4-(4-R-phenylamino)naphthalene-1,2-diones

2009 ◽  
Vol 16 (5) ◽  
pp. 825-830 ◽  
Author(s):  
Thaís P. Fragoso ◽  
José Walkimar de Mesquita Carneiro ◽  
Maria D. Vargas
Keyword(s):  
Molecular Modeling ◽  
Substituent Effects ◽  
Tautomeric Equilibrium ◽  
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 ◽  
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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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