70 indolinone inhibitors of PDK1 are calculated to guide obtaining the higher biological activity of quinolone compounds’ design and synthesis.Quantitative structure-activity relationship study has been approached on...70 indolinone inhibitors of PDK1 are calculated to guide obtaining the higher biological activity of quinolone compounds’ design and synthesis.Quantitative structure-activity relationship study has been approached on the basis of structure and quantum chemical parameters by using partial least squares,exhaustion linear regression analysis and chaotic genetic artificial neural network.According to the models,how these parameters affect the activity of the inhibitors of PDK1 is discussed in detail.The results show that the activity of indolinone inhibitors of PDK1 will increase when these compounds have larger nuclear energy,ploarizability,ovality and lower volume,molecular topological index.The QSAR results can provide a theoretical reference for the pharmaceutical synthesis.展开更多
文摘70 indolinone inhibitors of PDK1 are calculated to guide obtaining the higher biological activity of quinolone compounds’ design and synthesis.Quantitative structure-activity relationship study has been approached on the basis of structure and quantum chemical parameters by using partial least squares,exhaustion linear regression analysis and chaotic genetic artificial neural network.According to the models,how these parameters affect the activity of the inhibitors of PDK1 is discussed in detail.The results show that the activity of indolinone inhibitors of PDK1 will increase when these compounds have larger nuclear energy,ploarizability,ovality and lower volume,molecular topological index.The QSAR results can provide a theoretical reference for the pharmaceutical synthesis.
