Amir Najafi1 
,
Soheil S Ardakani2,
Mehdi Marjani3
For correspondence:- Amir Najafi Email: najafi@iauh.ac.ir Tel:+988114494004
Received: 10 October 2010 Accepted: 15 May 2011 Published: 20 August 2011
Citation: Najafi A, Ardakani SS, Marjani M. Quantitative Structure-Activity Relationship Analysis of the Anticonvulsant Activity of Some Benzylacetamides Based on Genetic Algorithm-Based Multiple Linear Regression. Trop J Pharm Res 2011; 10(4):483-490 doi: 10.4314/tjpr.v10i4.14
© 2011 The authors.
This is an Open Access article that uses a funding model which does not charge readers or their institutions for access and distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0) and the Budapest Open Access Initiative (http://www.budapestopenaccessinitiative.org/read), which permit unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited..
Purpose: To develop the quantitative structure-activity relationship (QSAR) for predicting the anticonvulsant activity of α-substituted acetamido-N-benzylacetamide derivatives.
Methods: AM1 semiempirical quantum chemical calculation method was used to find the optimum 3D geometry of the studied molecules. Two types of molecular descriptors, including the 2D autocorrelation and GETAWAY descriptors, were used to derive a quantitative relation between anticonvulsant activity and structural properties. The relevant molecular descriptors were selected by genetic algorithm-based multiple linear regression (GA-MLR) approach.
Results: The high value of the correlation coefficient, R2 (0.900), indicate that the model was satisfactory.
Conclusion: The proposed model has good stability, robustness and predictability when verified by internal and external validation.
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