DOI: 10.2174/157018011794578178
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Abstract: The pyrrolopyrimidine derivatives have been regarded as a novel class of LIM-kinase 2 inhibitor. To explore the relationship between the structures of substituted pyrrolopyrimidine derivatives and their inhibitory activities against LIMK2, CoMFA and CoMSIA analyses, and molecular docking studies were performed on a dataset of forty-one compounds. The two 3D-QSAR models resulted from thirty-one molecules in the training set gave r 2 cv values of 0.635 and 0.660, r 2 values of 0.973 and 0.965, respectively. The … Show more

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