• PREDICTION OF NOVEL ARYLPIPERAZINYLS (PYRROLIDIN-2-ONE DERIVATIVES) AS ANTIARRHYTHMIC AGENTS – QSAR MODEL DEVELOPMENT

Abstract

Here 1-[3-(4-arylpiperazin-1-yl) propyl] pyrrolidin-2-one analogues have been used to correlate the antiarrhythmic activity with the topoShape and geomShape descriptors for studying the Quantitative Structure Activity Relationship (QSAR). Correlation may be an adequate predictive model which can help to provide guidance in designing and subsequently yielding greatly specific compounds that may have reduced side effects and improved pharmacological activities. We have used Multiple Linear Regression (MLR) for developing QSAR model. For the validation of the developed QSAR model, statistical analysis such as cross validation test, standard deviation, quality factor, fischers test, root mean square deviation (RMSD), variance; have been performed and all the tests validated this QSAR model with fraction of variance r2 = 0.8720. Now, 7 novel 1-[3-(4-arylpiperazin-1-yl)propyl]pyrrolidin-2-one analogues have been designed and antiarrhythmic activity (-logED50) of all novel analogues have been calculated with the developed QSAR model. It was found that the calculated -logED50 of all novel analogues are within the same range as of the training set.