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QSAR Study Of Substituted 3,5-Di-Tert-Butyl-4-Hydroxy Styrene : A Series With Antiinflammatory Activity

Author(s): Geeta Kant, Anupama Parate, S. C Chaturvedi

A series of 19 antiinflammatory drugs 3,5-di-tert-butyl-4-hydroxy styrene derivatives were subjected to quantitative structure activity relationship analysis with an attempt to derive a correlation between the biological activity as dependent variable and various descriptors as independent variables by using Hansch approach. The QSAR analysis showed that, the anti-inflammatory activity of the analogues is significantly correlated with thermodynamic and sterimol parameters. The analysis resulted in the following 2-D equation suggest that, BA=(-0.588016) MR1+(0.2815) MR2+(-0.150769) Hdor1(- 1.322597), n=15, r=0.864, r2=0.764, f=7.336, t=2.709, STD=0.64, a lipophillic group, which is less bulkier at R1 and more bulkier at R2, is important in determining the anti-inflammatory activity along the axis of a parent skeleton, which can be used for predicting the affinity of related compound and for guiding the design of a new molecule.


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