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Nghiên cứu sàng lọc ảo các chất có khả năng hoạt hóa enzym y—secretase / Trần Thái Sơn, [.... và những người khác] // Tạp chí Dược học . - 2020. - Tr. 19-24. - ISSN:
6 tr.
Ký hiệu phân loại (DDC): 615
Regarding Alzheimer’s disease (AD) is one of the main causes of dementia symptoms in the elderty, in the line of finding new y-secretase modulators (GSMs) for its treatment, the 3D-pharmacophore, ZD-QSAR, machine Ieaming and docking were built with database of 137 y—secretase modulators and crystal stnrcture 6IYC by the softwares LigandScout 4.3, MOE 2015.10 and Leal 2.1.8 for virtual screeing the Drug Bank, Traditional Chinese Medicine Database (TCM), ZINC12 database containing 22. 790.447 compounds. By this virtual screening, 2003 compounds were obtained and docked successfully. The study may promote further screenings on other databases and molecular dynamic studies, in vitro and in vivo tests ofpromising potential substances.
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