Binding mechanism of selective cathepsin K/S inhibition revealed from molecular simulations
Author:
Funder
Taishan Industry Leading Talents Project
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics
Link
https://link.springer.com/content/pdf/10.1007/s11224-023-02136-w.pdf
Reference29 articles.
1. Hook V, Yoon M, Mosier C, Ito G, Podvin S, Head BP et al (2020) Cathepsin B in neurodegeneration of Alzheimer's disease, traumatic brain injury, and related brain disorders. Biochim Biophys Acta Proteins Proteom 1868(8):140428. https://doi.org/10.1016/j.bbapap.2020.140428
2. Drake MT, Clarke BL, Oursler MJ, Khosla S (2017) Cathepsin K Inhibitors for osteoporosis: biology, potential clinical utility, and lessons learned. Endocr Rev 38(4):325–50. https://doi.org/10.1210/er.2015-1114
3. Sophia Thanei, Michel Theron, Ana Patricia Silva, Bernhard Reis, Branco L, Lucia Schirmbeck et al (2017) Cathepsin S inhibition suppresses autoimmune-triggered inflammatory responses in macrophages. Biochem Pharmacol 146:151–64. https://doi.org/10.1016/j.bcp.2017.10.001
4. Turk V, Stoka V, Vasiljeva O, Renko M, Sun T, Turk B et al (2012) Cysteine cathepsins: from structure, function and regulation to new frontiers. Biochim Biophys Acta 1824(1):68–88. https://doi.org/10.1016/j.bbapap.2011.10.002
5. Xiao-Yu Yuan, Ding-Yi Fu, Xing-Feng Ren, Xuexun Fang, Lincong Wang, Zouc S et al (2013) Highly selective aza-nitrile inhibitors for cathepsin K, structural optimization and molecular modeling. Org Biomol Chem 11(35):5847–52. https://doi.org/10.1039/c3ob41165f
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