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Future Journal of Pharmaceutical Sciences

Table 1 Best 2D-QSAR models for PPARϒ receptor inhibitors

From: Design, synthesis, 2D-QSAR, molecular dynamic simulation, and biological evaluation of topiramate–phenolic acid conjugates as PPARγ inhibitors

Model ID

Descriptor combination

QSAR equation

1

VE3_Dzp, nHBint6, DCW

pIC50 = 0.0063 * nHBint6 − 0.0009 * VE3_Dzp − 0.0084 * DCW + 7.7233

11

GATS5v, DCW

pIC50 = 0.0460 * GATS5v − 0.0086 * DCW + 7.6900

21

DCW

pIC50 = − 0.0087 * DCW + 7.7442

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