scholarly journals Molecular Modeling Study for the Design of Novel Peroxisome Proliferator-Activated Receptor Gamma Agonists Using 3D-QSAR and Molecular Docking

2018 ◽  
Vol 19 (2) ◽  
pp. 630 ◽  
Author(s):  
Yaning Jian ◽  
Yuyu He ◽  
Jingjing Yang ◽  
Wei Han ◽  
Xifeng Zhai ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Molecular Modeling ◽  
3D Qsar ◽  
Peroxisome Proliferator ◽  
Peroxisome Proliferator Activated Receptor ◽  
Molecular Modeling Study ◽  
Modeling Study

Molecular modeling study on Mer kinase inhibitors using 3D-QSAR and docking approaches

2015 ◽  
Vol 24 (10) ◽  
pp. 3730-3742 ◽  
Author(s):  
Anand Balupuri ◽  
Pavithra K. Balasubramanian ◽  
Seung Joo Cho
Keyword(s):  
Molecular Modeling ◽  
Kinase Inhibitors ◽  
3D Qsar ◽  
Molecular Modeling Study ◽  
Mer Kinase Inhibitors ◽  
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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