QSAR Studies of Some Thiazolo[4,5-b]pyridines as Novel Antioxidant Agents: Enhancement of Activity by Some Molecular Structure Parameters

Автори: 
Olena Klenina, Iryna Drapak, Taras Chaban, Volodymyr Ogurtsov, Igor Chaban and Iryna Golos

The antioxidant activity of novel N3 and C6 substituted 5,7-dimethyl-3H-thiazolo[4,5-b]pyridine-2-one derivatives was evaluated in vitro by the method of scavenging effect on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals. The correlation analysis between the antioxidant activity and different subsets molecular descriptors was carried out for 19 compounds. The regression models derived with QSAR-analysis display the significant influence of topological structure, atom and bond type counts, physicochemical properties, and quantum-chemical structure parameters on the free radical scavenging effect of the compounds.

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