國家衛生研究院 NHRI:Item 3990099045/11013
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    题名: Development of stem-cell-mobilizing agents targeting CXCR4 receptor for peripheral blood stem cell transplantation and beyond
    作者: Wu, CH;Song, JS;Kuan, HH;Wu, SH;Chou, MC;Jan, JJ;Tsou, LK;Ke, YY;Chen, CT;Yeh, KC;Wang, SY;Yeh, TK;Tseng, CT;Huang, CL;Wu, MH;Kuo, PC;Lee, CJ;Shia, KS
    贡献者: Institute of Biotechnology and Pharmaceutical Research
    摘要: The function of the CXCR4/CXCL12 axis accounts for many disease indications, including tissue/nerve regeneration, cancer metastasis, and inflammation. Blocking CXCR4 signaling with its antagonists may lead to moving out CXCR4(+) cell types from bone marrow to peripheral circulation. We have discovered a novel series of pyrimidine-based CXCR4 antagonists, a representative (i.e., 16) of which was tolerated at a higher dose and showed better HSC-mobilizing ability at the maximal response dose relative to the approved drug 1 (AMD3100), and thus considered a potential drug candidate for PBSCT indication. Docking compound 16 into the X-ray crystal structure of CXCR4 receptor revealed that it adopted a spider-like conformation striding over both major and minor subpockets. This putative binding mode provides a new insight into CXCR4 receptor-ligand interactions for further structural modifications.
    日期: 2018-02-08
    關聯: Journal of Medicinal Chemistry. 2018 Feb 8;61(3):818-833.
    Link to: http://dx.doi.org/10.1021/acs.jmedchem.7b01322
    JIF/Ranking 2023: http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=NHRI&SrcApp=NHRI_IR&KeyISSN=0022-2623&DestApp=IC2JCR
    Cited Times(WOS): https://www.webofscience.com/wos/woscc/full-record/WOS:000425063400015
    Cited Times(Scopus): http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85041928067
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