A computational study to reveal selpercatinib resistance to RET kinase double mutant V804M/Y806C-Reference-Cited by-同舟云学术

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A computational study to reveal selpercatinib resistance to RET kinase double mutant V804M/Y806C

Published:2022-09-13 Issue:1 Volume:77 Page:159-168
ISSN:0366-6352
Container-title:Chemical Papers
language:en
Short-container-title:Chem. Pap.

Author:

Zheng Guodong,Li Minyu,Zhang Jingfeng,Liu Wuxia,Jiang Lei,Liang Wenqi,Wang Jialin,Shi Hong,Kang Zhoujun,Zhou Bin

Publisher

Springer Science and Business Media LLC

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,General Chemical Engineering,Biochemistry,General Chemistry

Link

https://link.springer.com/content/pdf/10.1007/s11696-022-02479-4.pdf

Reference53 articles.

1. Abramyan AM, Yano H, Xu M, Liu L, Naing S, Fant AD et al (2020) The Glu102 mutation disrupts higher-order oligomerization of the sigma 1 receptor. Comput Struct Biotechnol J 18:199–206. https://doi.org/10.1016/j.csbj.2019.12.012

2. An X, Bai Q, Bing Z, Liu H, Yao X (2021) Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations. Comput Struct Biotechnol J 19:3978–3989. https://doi.org/10.1016/j.csbj.2021.07.008

3. Bártová I, Otyepka M, Kríz Z, Koca J (2005) The mechanism of inhibition of the cyclin-dependent kinase-2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRK. Protein Sci 14:445–451. https://doi.org/10.1110/ps.04959705

4. Cao S, Jiang X, Tan C, Fu M, Xiong W, Ji D et al (2021) How does nintedanib overcome cancer drug-resistant mutation of RET protein-tyrosine kinase: insights from molecular dynamics simulations. J Mol Model 27:337. https://doi.org/10.1007/s00894-021-04964-1

5. Case DA, Cheatham TE, Darden T, Gohlke H, Luo R, Merz KM et al (2005) The Amber biomolecular simulation programs. J Comput Chem 26:1668–1688

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