Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2010 Vol: 2 Issue: 6

Computational QSAR analysis of some physiochemical and topological descriptors of Curcumin derivatives by using different statistical methods


Curcumin is produced from the rhizomes of Curcuma l onga plant and having various medicinal and pharmaceutical applications.Here in this work a QSAR study has been performed by taking the 23 analogs of Curcumin.Various structural and p hysiochemical descriptors were generated. The effect was calculated for each type of descript ors by taking the Andrews coefficient as dependent variable. Multiple regression analysis wa s performed by Minitab 14 tool. Good correlation R-sq value 0.78 was obtained from the p hysiochemical descriptors in comparison to structural descriptor calculation. The statistics w ere also further verified by using SVM (Support vector machines) and ANN (artificial neural network s) based calculation. The results obtained were consistent with MLR statistics and the ANN bas ed method show R-sq value as 0.88 in case of physiological descriptor which is observed to be the highest among above three methods of analysis.