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Making NSCLC Crystal Clear: How Kinase Structures Revolutionized Lung Cancer Treatment

Juliana F. Vilachã, Sarah C. Mitchel, Muluembet Z. Akele, Stephen Evans, Matthew R. Groves
2020 Crystals  
Notwithstanding, these structures were also of service once the initially highly successful drugs started to lose their effectiveness in the emergence of mutations.  ...  to provide awareness of the function and inhibition of these mutations, but also how these structures can be used in further computational studies aiming at addressing these novel mutations in the field  ...  Conflicts of Interest: The funders had no role in the design of the study; in the collection, analyses, or interpretation of data; in the writing of the manuscript, or in the decision to publish the result  ... 
doi:10.3390/cryst10090725 fatcat:wi3vyhavmnaofnulrdqcicdzru

Deciphering the Mechanism of Gilteritinib Overcoming Lorlatinib Resistance to the Double Mutant I1171N/F1174I in Anaplastic Lymphoma Kinase

Shuai Liang, Qing Wang, Xuesen Qi, Yudi Liu, Guozhen Li, Shaoyong Lu, Linkai Mou, Xiangyu Chen
2021 Frontiers in Cell and Developmental Biology  
Anaplastic lymphoma kinase (ALK) is validated as a therapeutic molecular target in multiple malignancies, such as non-small cell lung cancer (NSCLC).  ...  Here, we used molecular docking and multiple molecular dynamics simulations combined with correlated and energetical analyses to explore the mechanism of how gilteritinib overcomes lorlatinib resistance  ...  To address this issue, MD simulations that consider conformational dynamics of proteins were performed to illuminate the effect of double mutations I1171N/F1174I on the conformational plasticity of ALK-lorlatinib  ... 
doi:10.3389/fcell.2021.808864 pmid:35004700 pmcid:PMC8733690 fatcat:i57hzjdge5eknnymkuabzftuqm