Design, synthesis and exploring the quantitative structure–activity relationship of some antioxidant flavonoid analogues

[Display omitted] A series of flavonoid analogues were synthesized and screened for the in vitro antioxidant activity through their ability to quench 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical. The activity of these compounds, measured in comparison to the well-known standard antioxidants (29–32)...

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Bibliographic Details
Published in:Bioorganic & medicinal chemistry letters 2014-11, Vol.24 (21), p.5050-5054
Main Authors: Das, Sreeparna, Mitra, Indrani, Batuta, Shaikh, Niharul Alam, Md, Roy, Kunal, Begum, Naznin Ara
Format: Article
Language:English
Subjects:
Antioxidants
Antioxidants - chemical synthesis
Antioxidants - chemistry
DPPH assay
Drug Design
Flavonoids
Flavonoids - chemical synthesis
Flavonoids - chemistry
In silico method
QSAR
Quantitative Structure-Activity Relationship
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Summary:[Display omitted] A series of flavonoid analogues were synthesized and screened for the in vitro antioxidant activity through their ability to quench 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical. The activity of these compounds, measured in comparison to the well-known standard antioxidants (29–32), their precursors (38–42) and other bioactive moieties (38–42) resembling partially the flavone skeleton was analyzed further to develop Quantitative Structure–Activity Relationship (QSAR) models using the Genetic Function Approximation (GFA) technique. Based on the essential structural requirements predicted by the QSAR models, some analogues were designed, synthesized and tested for activity. The predicted and experimental activities of these compounds were well correlated. Flavone analogue 20 was found to be the most potent antioxidant.
ISSN:0960-894X
1464-3405
DOI:10.1016/j.bmcl.2014.09.028