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ACTA Pharmaceutica Sciencia
2011 , Vol 53 , Num 1
HANSCH ANALYSIS OF ANTI-INFLAMMATORY AND ANALGESIC ACTIVITIES OF SUBSTITUTED 1-ALKYL/ARYL-3-ETHOXY CARBONYL-5-HYDROXY-2-METHYL INDOLES
Faculty of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak - 124 001, India
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The anti-inflammatory and analgesic activities of substituted 1-alkyl/aryl-3-ethoxy carbonyl-5-hydroxy-2- methyl indoles were correlated with their physicochemical parameters using Hansch analysis. The multiple linear regression (MLR) model developed for anti-inflammatory activity indicated the importance of lipophilic parameter, log octanol/water partition coefficient (log P) and electronic parameter, energy of lowest unoccupied molecular orbital (LUMO) in describing the anti-inflammatory activity. The QSAR model developed for the analgesic activity demonstrated the importance of topological parameter, Kier’s alpha shape index of first order (κα1) in describing the analgesic activity. The developed QSAR models were cross-validated by leave-one-out technique.
Keywords :
SUBSTITUTED INDOLE DERIVATIVES, HANSCH ANALYSIS, LUMO, ΚΑ1, LOG P