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

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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