Analogue-based design, synthesis and molecular docking analysis of 2,3-diaryl quinazolinones as non-ulcerogenic anti-inflammatory agents

2011 ◽  
Vol 19 (15) ◽  
pp. 4520-4528 ◽  
Author(s):  
E. Manivannan ◽  
S.C. Chaturvedi
Keyword(s):  
Molecular Docking ◽  
Design Synthesis ◽  
Docking Analysis ◽  
Anti Inflammatory ◽  
Molecular Docking Analysis

Identification of novel pyrazole–rhodanine hybrid scaffolds as potent inhibitors of aldose reductase: design, synthesis, biological evaluation and molecular docking analysis

RSC Advances ◽  
2016 ◽  
Vol 6 (81) ◽  
pp. 77688-77700 ◽  
Author(s):  
Hina Andleeb ◽  
Yildiz Tehseen ◽  
Syed Jawad Ali Shah ◽  
Imtiaz Khan ◽  
Jamshed Iqbal ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Aldose Reductase ◽  
Inhibitory Effect ◽  
Biological Evaluation ◽  
Aldehyde Reductase ◽  
Design Synthesis ◽  
Docking Analysis ◽  
Hybrid Scaffolds ◽  
Molecular Docking Analysis

A series of novel pyrazole–rhodanine derivatives was designed, synthesized, and biologically evaluated for their potential inhibitory effect on both aldehyde reductase (ALR1) and aldose reductase (ALR2).

scholarly journals Molecular docking analysis of furfural and isoginkgetin with heme oxygenase I and PPARγ

2021 ◽  
Vol 17 (2) ◽  
pp. 356-362
Author(s):  
Preetha Santhakumar ◽  
Keyword(s):  
Molecular Docking ◽  
Cascade Process ◽  
Docking Analysis ◽  
Target Proteins ◽  
Hydrogen Bond Interactions ◽  
Tnf Α ◽  
Anti Inflammatory ◽  
Factor Α ◽  
Necrosis Factor ◽  
Molecular Docking Analysis

Inflammatory is cascade process triggered by pro-inflammatory cytokines and anti-inflammatory. In the present study anti-inflammatory activity of Stachydrine and Sakuranetin were studied against the inflammatory target proteins IL-6 and TNF-α by using molecular docking analysis. Both compounds showed the good binding with selected target proteins. Compared to Sakuranetin, the Stachydrine have lowest binding energy and good hydrogen bond interactions. Hence results of study indicated that Stachydrine possessed high and specific inhibitory activity on tumor necrosis factor-α and interleukin-6.

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