TRA CỨU
thông tin biểu ghi
  • Bài trích
  • Ký hiệu PL/XG: 615
    Nhan đề: Nghiên cứu tìm kiếm các phân tử nhỏ có khả năng ức chế thụ thể Interleukin 1 Typ 1 /
DDC 615
Tác giả CN Lê, Minh Trí
Nhan đề Nghiên cứu tìm kiếm các phân tử nhỏ có khả năng ức chế thụ thể Interleukin 1 Typ 1 / Lê Minh Trí, Phạm Nguyễn Khải Hoàn, Nguyễn Ngọc Lê, Thái Khắc Minh
Tóm tắt With regard that interleukin-1β (IL-1β) is a member of the IL-1 family of cytokines which is an important mediator of inflammatory and immune response and IL-1RI receptor of IL-1β is relevant to many inflammatory diseases, and three proteins inhibiting IL-1β are comercially approved… some 3D pharmacophores and molecular modellings were developed to figure out IL-1β inhibitors by inhibiting IL-1β:IL-1RI interactions. A total of six 3D-pharmacophore models for IL-1RI including 3 models at D1-D2 domain junction and 3 models at D2 domain were created and molecular docking modellings were also performed. The virtual screening using the developed models on Drug Bank database of 7.616 items resulted in 224 coumpounds for D1-D2 domain junction site, and also, 199 compounds for D2 domain site were obtained and docked successfully. Further, the functional score on 5 compounds with the best score at each site was analyzed. Larger databases should be screened with the models and more molecular dynamics simulation or in vitro, in vivo experiments should be done to develop novel small-molecule IL-1β inhibitors.
Thuật ngữ chủ đề Nghiên cứu kỹ thuật--Việt Nam
Từ khóa tự do Interleukin
Từ khóa tự do Phân tử nhỏ
Tác giả(bs) CN Phạm, Nguyễn Khải Hoàn
Nguồn trích Tạp chí Dược học 2019tr. 43-48 Số: 01
000 00000nab#a2200000ui#4500
00118575
0029
0046D7D5764-367D-431E-B8F6-D9E994BD6C47
005201912040933
008081223s vm| vie
0091 0
039|y20191204093331|zthienvan
082 |a615
100 |aLê, Minh Trí
245 |aNghiên cứu tìm kiếm các phân tử nhỏ có khả năng ức chế thụ thể Interleukin 1 Typ 1 / |cLê Minh Trí, Phạm Nguyễn Khải Hoàn, Nguyễn Ngọc Lê, Thái Khắc Minh
520 |aWith regard that interleukin-1β (IL-1β) is a member of the IL-1 family of cytokines which is an important mediator of inflammatory and immune response and IL-1RI receptor of IL-1β is relevant to many inflammatory diseases, and three proteins inhibiting IL-1β are comercially approved… some 3D pharmacophores and molecular modellings were developed to figure out IL-1β inhibitors by inhibiting IL-1β:IL-1RI interactions. A total of six 3D-pharmacophore models for IL-1RI including 3 models at D1-D2 domain junction and 3 models at D2 domain were created and molecular docking modellings were also performed. The virtual screening using the developed models on Drug Bank database of 7.616 items resulted in 224 coumpounds for D1-D2 domain junction site, and also, 199 compounds for D2 domain site were obtained and docked successfully. Further, the functional score on 5 compounds with the best score at each site was analyzed. Larger databases should be screened with the models and more molecular dynamics simulation or in vitro, in vivo experiments should be done to develop novel small-molecule IL-1β inhibitors.
650 |aNghiên cứu kỹ thuật|zViệt Nam
653 |aInterleukin
653 |aPhân tử nhỏ
700 |aPhạm, Nguyễn Khải Hoàn
773 |tTạp chí Dược học |d2019|gtr. 43-48|i01
890|c1|a0|b0|d12
Không tìm thấy biểu ghi nào