Synthesis, biological evaluation and molecular modeling study of pyrazole and pyrazoline derivatives as selective COX-2 inhibitors and anti-inflammatory agents. Part 2

2012 ◽  
Vol 20 (10) ◽  
pp. 3306-3316 ◽  
Author(s):  
Magda A.-A. El-Sayed ◽  
Naglaa I. Abdel-Aziz ◽  
Alaa A.-M. Abdel-Aziz ◽  
Adel S. El-Azab ◽  
Kamal E.H. ElTahir
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
Molecular Modeling Study ◽  
Cox 2 ◽  
Anti Inflammatory ◽  
Cox 2 Inhibitors ◽  
Modeling Study

scholarly journals Ligand-free, palladacycle-facilitated Suzuki coupling of hindered 2-arylbenzothiazole derivatives yields potent and selective COX-2 inhibitors

2018 ◽  
Vol 16 (1) ◽  
pp. 108-118 ◽  
Author(s):  
Mohamed S. A. Elsayed ◽  
Siran Chang ◽  
Mark Cushman
Keyword(s):  
Molecular Modeling ◽  
Similarity Search ◽  
Suzuki Coupling ◽  
Selective Inhibitors ◽  
Molecular Modeling Study ◽  
Ligand Free ◽  
Cox 2 ◽  
Cox 2 Inhibitors ◽  
Novel Scaffold ◽  
Modeling Study

A similarity search and molecular modeling study suggested the 2′-aryl-2-arylbenzothiazole framework as a novel scaffold for the design of COX-2-selective inhibitors.

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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