Molecular modeling study on the tubulin-binding modes of epothilone derivatives: Insight into the structural basis for epothilones activity

2017 ◽  
Vol 90 (6) ◽  
pp. 1247-1259 ◽  
Author(s):  
Verónica A. Jiménez ◽  
Joel B. Alderete ◽  
Karen R. Navarrete
Keyword(s):  
Molecular Modeling ◽  
Structural Basis ◽  
Binding Modes ◽  
Molecular Modeling Study ◽  
Tubulin Binding ◽  
Insight Into ◽  
Modeling Study

Molecular modeling study of cyclic pentapeptide CXCR4 antagonists: New insight into CXCR4–FC131 interactions

2012 ◽  
Vol 22 (6) ◽  
pp. 2146-2150 ◽  
Author(s):  
Yasushi Yoshikawa ◽  
Kazuya Kobayashi ◽  
Shinya Oishi ◽  
Nobutaka Fujii ◽  
Toshio Furuya
Keyword(s):  
Molecular Modeling ◽  
Molecular Modeling Study ◽  
Cxcr4 Antagonists ◽  
Insight Into ◽  
Modeling Study

Molecular modeling study on the structural basis of binding mechanism of C6-substituted phthalides with monoamine oxidases

2014 ◽  
Vol 23 (8) ◽  
pp. 3624-3631
Author(s):  
Pei Zhen Li ◽  
Yue Li Tian ◽  
Hong Lin Zhai ◽  
Fang Fang Deng ◽  
Mei Hong Xie ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Structural Basis ◽  
Binding Mechanism ◽  
Monoamine Oxidases ◽  
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.

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