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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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Sàng lọc mảnh liên kết với ion kẽm trong nghiên cứu pháp triển thuốc mới ức chế glutaminyl cyclase hướng điều trị bệnh Anzheimer / Trần Phương Thảo, Hoàng Văn Hải, Trần Thị Thu Hiền // Tạp chí Dược học . - 2020. - Tr. 24-28. - ISSN:
5 tr.
Ký hiệu phân loại (DDC): 615
As the zinc ion is a cofactor of enzyme glutaminyl cyclase playing an important role in the catalytic action of the enzyme, and on the otherhand, all ofglutaminyl cyclase inhibitors have been designed from fragments that bind to zinc ion, but so far, the only'imidazole, benzimidazole, and phenol have been used as zinc-binding fragments ofglutaminyl cyclase inhibitors, to find Wt "9W zinc-binding Groups of glutaminyl cyclase inhibitors, in this study 32 zinc-binding fragments were selected, synthesized and estimated the glutaminyl cyclase inhibitory activity. Of these, two fragments (2b, 7b) showed good IC50 values and ligand efiiciency and as such, promising for design and development of novel QC inhibitors.
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