Quantitative Structure Activity Relationship Studies of 4-Methyl-2-(p-Substitutedphenyl) Quinoline Derivatives as Potential Antifungal Agents

( Vol-3,Issue-5,May 2017 )

Author(s): S. S. Chourasia, P. K. Rahangdale, F. Inam

Total View : 965
Downloads : 164
Page No: 607-612
DOI: 10.24001/ijaems.3.5.33

Keywords:

Quinoline derivatives, Descriptors, QSAR, Model validation, Antifungal activity, Regression analysis.

Abstract:

This research article reports the synthesis of a series of 4-methyl-2-(p-substitutedphenyl)quinoline derivatives which display potent antifungal activities. Moreover the potency of the synthesized compounds have been explored by means of Quantitative Structure Activity Relationship(QSAR) study carried out using regression analysis and statistically significant (r2) QSAR models. A number of descriptors were tested to adjudge a quantitative correlation between activity and structural features using training set and test set. It is evident from the QSAR study that majority of the antifungal activity is due to lipophilicity as well as cLogP influence on the biological activity. The results were interpreted on the basis of regression analysis. Since the developed QSAR models are found to be statistically significant and predictive, they can potentially be used for prediction of antifungal activities of new molecules before prioritization of their synthesis

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