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Abstract

Quantitative Structure Protein Binding Relationships for some Non-Steroidal Antiinflammatory Drugs

Author(s): Neelam Seedher

Quantitative structure-protein binding relationships (QSPBR) have been derived for six non-steroidal antiinflammatory drugs (NSAIDs). Ninety eight topological indices (TIs) for six NSAlDs used in this study were calculated using software Polly 2.3. Variables having statistically significant correlations with association constants were considered to be predictors of the model. Linear relationships between association constants and relevant variables derived using multiple linear regression analysis, were useful in predicting drug binding affinity. The association constants were found to be functions of the degree of complexity (Io), path connectivity indices ( 1X and 3X) and the number of paths, P9. Thus, size and shape of the drug molecule plays an important role in the binding of NSAIDs to serum albumin.