<![CDATA[Quantitative structure-activity relationship (QSAR) has been studied for ferulic acid derivatives to determine the QSAR model able to predict anticancers. The subject of this research was a set of experimentally calculated IC50 value data of 6 ferulic acid derivatives against cervical cancer cells (HELA). QSAR analysis was based on multilinear regression calculation on fitting subset using log (1/IC50) as the dependent variable, and dipole moment, partition coefficient in the n-octanol/water, and atomic net charges of the aromatic carbons as independent variables. The values of the descriptors were obtained from semi-empirical PM3 quantum mechanics calculation. The relationship between log (1/IC50) and the descriptors was described by the result in the QSAR model. The QSAR model for ferulic acid derivatives against HELA cell lines was developed with the statistical parameters of R=0.998; R2=0.999; SE=0.00857; and F=394. The calculated log (1/IC50) using the QSAR Hansch Model for ferulic acid derivatives has excellent agreement with the experimental data of Log (1/IC50).]]>
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