|
DDC
| 615 | |
Tác giả CN
| Lê, Minh Trí | |
Nhan đề
| Sàng lọc ảo các chất có khả năng ức chế Phosphodiesterase 9 ứng dụng trong điều trị Alzheimer / Lê Minh Trí, Đinh Văn Toàn, Thái Khắc Minh | |
Tóm tắt
| In view that phosphodiesterase 9 (PDE9) inhibitors are potentially applied in the treatment of Alzheimer's disease, 2D-QSAR, 3D-pharmacophore and molecular docking models were developed for virtual screening of new PDE9 inhibitors. The 2D-QSAR model was built on a database collection of 477 PDE9 inhibitors from 8 scientific papers and individual 15 patents. The HipHop algorithm was used to create the 3D-pharmacophore models based on a database of six strong inhibitors. The molecular docking studies were performed on PDE9 structures (pdb 4Y86). These 3 models were applied to virtual screening for new PDE9 inhibitors on 6 databases inclusive of 380,330 compounds. By the virtual screening, three compounds of various structural frames were found having highly predicted PDE9 inhibitory activity (predicted IC50 ≤ 50 nM). This may provide the basis for designing novel PDE9 inhibitors able of crossing the blood-brain barrier and granting high safety. | |
Thuật ngữ chủ đề
| Nghiên cứu kỹ thuật Việt Nam-- Việt Nam | |
Từ khóa tự do
| Alzheimer | |
Từ khóa tự do
| Phosphodiesterase | |
Tác giả(bs) CN
| Đinh, Văn Toàn | |
Nguồn trích
| Tạp chí Dược học 2018tr. 68-72
Số: 11 |
| |
000
| 00000nab#a2200000ui#4500 |
|---|
| 001 | 18694 |
|---|
| 002 | 9 |
|---|
| 004 | 573BA21B-41EE-4149-BEEC-429063614CDF |
|---|
| 005 | 201912061110 |
|---|
| 008 | 081223s vm| vie |
|---|
| 009 | 1 0 |
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| 039 | |y20191206111057|zthienvan |
|---|
| 082 | |a615 |
|---|
| 100 | |aLê, Minh Trí |
|---|
| 245 | |aSàng lọc ảo các chất có khả năng ức chế Phosphodiesterase 9 ứng dụng trong điều trị Alzheimer / |cLê Minh Trí, Đinh Văn Toàn, Thái Khắc Minh |
|---|
| 520 | |aIn view that phosphodiesterase 9 (PDE9) inhibitors are potentially applied in the treatment of Alzheimer's disease, 2D-QSAR, 3D-pharmacophore and molecular docking models were developed for virtual screening of new PDE9 inhibitors. The 2D-QSAR model was built on a database collection of 477 PDE9 inhibitors from 8 scientific papers and individual 15 patents. The HipHop algorithm was used to create the 3D-pharmacophore models based on a database of six strong inhibitors. The molecular docking studies were performed on PDE9 structures (pdb 4Y86). These 3 models were applied to virtual screening for new PDE9 inhibitors on 6 databases inclusive of 380,330 compounds. By the virtual screening, three compounds of various structural frames were found having highly predicted PDE9 inhibitory activity (predicted IC50 ≤ 50 nM). This may provide the basis for designing novel PDE9 inhibitors able of crossing the blood-brain barrier and granting high safety. |
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| 650 | |aNghiên cứu kỹ thuật Việt Nam|z Việt Nam |
|---|
| 653 | |aAlzheimer |
|---|
| 653 | |aPhosphodiesterase |
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| 700 | |aĐinh, Văn Toàn |
|---|
| 773 | |tTạp chí Dược học |d2018|gtr. 68-72|i11 |
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| 890 | |c1|a0|b0|d5 |
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