Chemical Informatics

QSAR Studies of Some Synthetic Structurally Related Androstene Derivatives as Anti-Inflammatory Agents

The use of steroids in the acute and emergency conditions of inflammation is well established. Most of the time they are given chronically to the patients with arthritis. The present study focuses on developing substantial quantitative structure activity relationship models of certain steroidal derivatives reported to be as anti-inflammatory agents. The QSAR models of androstene derivatives were developed using ED50, log ED50 and 1/log ED50 values of anti-inflammatory agents. The models developed have shown significant correlation between the anti-inflammatory activity and some of the structural parameters. The best fit model has shown r2 of 0.9081, q2 of 0.8310 and F-values of 29.6585.

Author(s):

Sonal Dubey and Poonam Piplani

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