Leveraging Structural Diversity and Allosteric Regulatory Mechanisms of Protein Kinases in the Discovery of Small Molecule Inhibitors.

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作者： Gennady M,Verkhivker ^[1]

作者单位： Department of Computational Sciences, Faculty of Physics, Computational Science and Engineering, Schmid College of Science & Technology, Chapman University, Orange, CA 92866, United States. ^[1] Department of Pharmacology, University of California San Diego, La Jolla, CA 92093, United States. ^[2]

关键词 BRAF kinases BRAF paradoxical activation ErbB kinases allosteric kinase inhibitors allosteric regulation computational modeling of protein kinases dimerization-induced kinase activation kinase residue interaction networks multiscale simulations

主题词别构调节(Allosteric Regulation);药物发现(Drug Discovery);人类(Humans);分子结构(Molecular Structure);蛋白激酶抑制剂(Protein Kinase Inhibitors);蛋白激酶类(Protein Kinases);小分子化合物库(Small Molecule Libraries)

DOI 10.2174/0929867323666161006113418

PMID 27719654

发布时间 2018-06-05

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