Molecular insight into the T798M gatekeeper mutation-caused acquired resistance to tyrosine kinase inhibitors in ErbB2-positive breast cancer.
Computational Biology and Chemistry(2019)
摘要
•Molecular mechanism of T798M-caused drug resistance in ErbB2-positive breast cancer therapy is investigated.•Mutation-introduced hindrance effect is responsible for the acquired resistance to wide type-selective inhibitors.•Mutation can form additional nonbonded interactions with wide type-sparing inhibitors.•A S-involving halogen bond between Bosutinib and the sulfide group of Met798 residue is observed.
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关键词
Epidermal growth factor receptor 2,Gatekeeper mutation,Tyrosine kinase inhibitor,Acquired resistance,Breast cancer
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