期刊
SCIENTIFIC REPORTS
卷 7, 期 -, 页码 -出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/s41598-017-12082-3
关键词
-
资金
- National Research Foundation of Korea (NRF) - Ministry of Education, Science, and Technology [2012R1A6A3A04038302, 2017R1C1B2003380]
- Korea Health Industry Development Institute (KHIDI) - Ministry for Health and Welfare, Korea [HI14C1135]
- National Research Foundation of Korea [2012R1A6A3A04038302] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
Rational drug design against a determined target (disease, pathway, or protein) is the main strategy in drug discovery. However, regardless of the main strategy, chemists really wonder how to maximize the utility of their new compounds by drug repositioning them as clinical drug candidates in drug discovery. In this study, we started our drug discovery from curiosity in the chemical structure of a drug scaffold itself rather than for a specific target. As a new drug scaffold, anomeric diarylamino cyclic aminal scaffold 1, was designed by combining two known drug scaffolds (diphenylamine and the most popular cyclic ether, tetrahydropyran/tetrahydrofuran) and synthesized through conventional Bronsted acid catalysis and metal-free alpha-C(sp(3))-H functionalized oxidative cyclization. To identify the utility of the new scaffold 1, it was investigated through 2D and 3D similarity screening and chemocentric target prediction. The predicted proteins were investigated by an experimental assay. The scaffold 1 was reported to have an antineuroinflammatory agent to reduce NO production, and compound 10 concentration-dependently regulated the expression level of IL-6, PGE-2, TNF-alpha, ER-beta, VDR, CTSD, and iNOS, thus exhibiting neuroprotective activity.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据