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新型冠狀病毒(2019-nCoV)疫情正在迅速向全球蔓延。截止2020年3月6日，全球累計98373人， 累計死亡3388人。由于目前沒有特效藥可以治療新冠肺炎，治療新冠肺炎的藥物研發(fā)迫在眉睫。通過以AI為架構的藥物篩選手段，可以發(fā)現(xiàn)多種可能對2019-nCoV有治療作用的藥物及化合物。阿拉丁提供以下幾十款試劑作為此藥物研發(fā)的研發(fā)用材料。
韓國Deargen公司、美國佐治亞州亞特蘭大市埃默里大學、韓國天安市擔國大學自然科學學院聯(lián)，利用藥物-靶點相互作用模型（MT-DTI），預測了與新型冠狀病毒(2019-nCoV) 3C樣蛋白酶、RNA依賴RNA聚合酶、解旋酶、3 '- 5 '核酸外切酶、內(nèi)切RNA酶、內(nèi)切RNA酶的藥物及化合物。
抑制新型冠狀病毒(2019-nCoV) 3C樣蛋白酶的DTI預測結果
| 項目號 |
產(chǎn)品名稱 |
純度 |
CAS |
規(guī)格 |
| A125825 |
Atazanavir
阿扎那韋 |
- |
198904-31-3 |
10mg,50mg,250mg,5g |
| E135556 |
Efavirenz
依法韋侖 |
≥98%(HPLC) |
154598-52-4 |
10mg,50mg,250mg,1g,5g |
| R126586 |
利托那韋
Ritonavir |
≥98% |
155213-67-5 |
10mg,50mg,250mg,500mg |
| D127636 |
多替拉韋
Dolutegravir |
≥99% |
1051375-16-6 |
5mg,10mg,50mg |
| A126103 |
Asunaprevir
阿那匹韋 |
≥98% |
630420-16-5 |
5mg,10mg,50mg,250mg |
| S127117 |
Simeprevir
西咪匹韋 |
≥99% |
923604-59-5 |
5mg,10mg,50mg,100mg |
抑制新型冠狀病毒(2019-nCoV)的RNA依賴RNA聚合酶的DTI預測結果
| 項目號 |
產(chǎn)品名稱 |
純度 |
CAS |
規(guī)格 |
| M124903 |
MK-5172 |
98% |
1350514-68-9 |
5mg,10mg |
| G129109 |
Ganciclovir
更昔洛韋 |
≥98.0% |
82410-32-0 |
1g,5g,25g,100g |
| A125825 |
Atazanavir
阿扎那韋 |
- |
198904-31-3 |
10mg,50mg,250mg,5g |
| D127186 |
Daclatasvir(BMS-790052) |
≥98% |
1009119-64-5 |
10mg,50mg,250mg |
| E126710 |
Etravirine (TMC125) |
≥95% |
269055-15-4 |
5mg,25mg,100mg,1g |
| E181466 |
Entecavir
恩替卡韋 |
98% |
142217-69-4 |
250mg,1g |
| E135556 |
Efavirenz
依法韋侖 |
≥98%(HPLC) |
154598-52-4 |
10mg,50mg,250mg,1g,5g |
| A126103 |
Asunaprevir
阿那匹韋 |
≥98% |
630420-16-5 |
5mg,10mg,50mg,250mg |
| A126552 |
Abacavir
阿巴卡韋 |
≥98.0% |
136470-78-5 |
1g,5g |
| D127636 |
多替拉韋
Dolutegravir |
≥99% |
1051375-16-6 |
5mg,10mg,50mg |
| V127611 |
VX-222 (VCH-222, Lomibuvir) |
≥99% |
1026785-59-0 |
5mg,10mg,50mg |
| P125160 |
Penciclovir
噴昔洛韋 |
≥99% |
39809-25-1 |
50mg,250mg,1g |
| D127014 |
Danoprevir (ITMN-191) |
≥95% |
850876-88-9 |
2mg,5mg,25mg |
| R126586 |
利托那韋
Ritonavir |
≥98% |
155213-67-5 |
10mg,50mg,250mg,500mg |
| S126514 |
沙奎那韋
Saquinavir |
≥98% |
127779-20-8 |
25mg,100mg |
| R129802 |
Raltegravir(MK-0518) |
≥97% |
518048-05-0 |
5mg,10mg,50mg,1g |
抑制新型冠狀病毒(2019-nCoV)的解旋酶的DTI預測結果
| 項目號 |
中文名稱 |
規(guī)格 |
CAS |
包裝 |
| S127117 |
Simeprevir
西咪匹韋 |
≥99% |
923604-59-5 |
5mg,10mg,50mg,100mg |
| A125825 |
Atazanavir
阿扎那韋 |
- |
198904-31-3 |
10mg,50mg,250mg,5g |
| M124903 |
MK-5172 |
98% |
1350514-68-9 |
5mg,10mg |
| A126103 |
Asunaprevir
阿那匹韋 |
≥98% |
630420-16-5 |
5mg,10mg,50mg,250mg |
| T126775 |
Telaprevir
特拉匹韋 |
≥98% |
402957-28-2 |
5mg,10mg,50mg |
| R126586 |
利托那韋
Ritonavir |
≥98% |
155213-67-5 |
10mg,50mg,250mg,500mg |
| L299096 |
洛比那韋
Lopinavir |
95% |
192725-17-0 |
10mg,50mg,250mg,1g |
| L129320 |
洛比那韋
Lopinavir |
≥99% |
192725-17-0 |
10mg,50mg,100mg,250mg,1g |
| D125841 |
達蘆那韋
Darunavir |
98% |
206361-99-1 |
5mg,10mg,50mg,250mg,1g |
| G129109 |
Ganciclovir
更昔洛韋 |
≥98.0% |
82410-32-0 |
1g,5g,25g,100g |
| P125160 |
Penciclovir
噴昔洛韋 |
≥99% |
39809-25-1 |
50mg,250mg,1g |
| E126710 |
Etravirine (TMC125) |
≥95% |
269055-15-4 |
5mg,25mg,100mg,1g |
| R129802 |
Raltegravir(MK-0518) |
≥97% |
518048-05-0 |
5mg,10mg,50mg,1g |
| D127636 |
多替拉韋
Dolutegravir |
≥99% |
1051375-16-6 |
5mg,10mg,50mg |
| N137745 |
奈非那韋
Nelfinavir Mesylate |
98% |
159989-65-8 |
10mg,50mg,250mg |
| E135556 |
Efavirenz
依法韋侖 |
≥98%(HPLC) |
154598-52-4 |
10mg,50mg,250mg,1g,5g |
| E181466 |
Entecavir
恩替卡韋 |
98% |
142217-69-4 |
250mg,1g |
| R126586 |
利托那韋
Ritonavir |
≥98% |
155213-67-5 |
10mg,50mg,250mg,500mg |
| V127611 |
VX-222 (VCH-222, Lomibuvir) |
≥99% |
1026785-59-0 |
5mg,10mg,50mg |
抑制新型冠狀病毒(2019-nCoV)的3 '- 5 '核酸外切酶的DTI預測結果
| 項目號 |
中文名稱 |
規(guī)格 |
CAS |
包裝 |
| S127117 |
Simeprevir
西咪匹韋 |
≥99% |
923604-59-5 |
5mg,10mg,50mg,100mg |
| E135556 |
Efavirenz
依法韋侖 |
≥98%(HPLC) |
154598-52-4 |
10mg,50mg,250mg,1g,5g |
| D127014 |
Danoprevir (ITMN-191) |
≥95% |
850876-88-9 |
2mg,5mg,25mg |
| G129109 |
Ganciclovir
更昔洛韋 |
≥98.0% |
82410-32-0 |
1g,5g,25g,100g |
| P125160 |
Penciclovir
噴昔洛韋 |
≥99% |
39809-25-1 |
50mg,250mg,1g |
| A125825 |
Atazanavir
阿扎那韋 |
- |
198904-31-3 |
10mg,50mg,250mg,5g |
| E181466 |
Entecavir
恩替卡韋 |
98% |
142217-69-4 |
250mg,1g |
| D127186 |
Daclatasvir(BMS-790052) |
≥98% |
1009119-64-5 |
10mg,50mg,250mg |
| M124903 |
MK-5172 |
98% |
1350514-68-9 |
5mg,10mg |
| A126103 |
Asunaprevir
阿那匹韋 |
≥98% |
630420-16-5 |
5mg,10mg,50mg,250mg |
| R126586 |
利托那韋
Ritonavir |
≥98% |
155213-67-5 |
10mg,50mg,250mg,500mg |
| V127611 |
VX-222 (VCH-222, Lomibuvir) |
≥99% |
1026785-59-0 |
5mg,10mg,50mg |
| D125841 |
達蘆那韋
Darunavir |
98% |
206361-99-1 |
5mg,10mg,50mg,250mg,1g |
| R129802 |
Raltegravir(MK-0518) |
≥97% |
518048-05-0 |
5mg,10mg,50mg,1g |
| D127636 |
多替拉韋
Dolutegravir |
≥99% |
1051375-16-6 |
5mg,10mg,50mg |
| L299096 |
洛比那韋
Lopinavir |
95% |
192725-17-0 |
10mg,50mg,250mg,1g |
| L129320 |
洛比那韋
Lopinavir |
≥99% |
192725-17-0 |
10mg,50mg,100mg,250mg,1g |
抑制新型冠狀病毒(2019-nCoV)的內(nèi)切RNA酶的DTI預測結果
| 項目號 |
中文名稱 |
規(guī)格 |
CAS |
包裝 |
| E135556 |
Efavirenz
依法韋侖 |
≥98%(HPLC) |
154598-52-4 |
10mg,50mg,250mg,1g,5g |
| A125825 |
Atazanavir
阿扎那韋 |
- |
198904-31-3 |
10mg,50mg,250mg,5g |
| R126586 |
利托那韋
Ritonavir |
≥98% |
155213-67-5 |
10mg,50mg,250mg,500mg |
| D127014 |
Danoprevir (ITMN-191) |
≥95% |
850876-88-9 |
2mg,5mg,25mg |
| M124903 |
MK-5172 |
98% |
1350514-68-9 |
5mg,10mg |
| D127636 |
多替拉韋
Dolutegravir |
≥99% |
1051375-16-6 |
5mg,10mg,50mg |
| V127611 |
VX-222 (VCH-222, Lomibuvir) |
≥99% |
1026785-59-0 |
5mg,10mg,50mg |
| L299096 |
洛比那韋
Lopinavir |
95% |
192725-17-0 |
10mg,50mg,250mg,1g |
| L129320 |
洛比那韋
Lopinavir |
≥99% |
192725-17-0 |
10mg,50mg,100mg,250mg,1g |
| D125841 |
達蘆那韋
Darunavir |
98% |
206361-99-1 |
5mg,10mg,50mg,250mg,1g |
| N137745 |
奈非那韋
Nelfinavir Mesylate |
98% |
159989-65-8 |
10mg,50mg,250mg |
| T126775 |
Telaprevir
特拉匹韋 |
≥98% |
402957-28-2 |
5mg,10mg,50mg |
| A126552 |
Abacavir
阿巴卡韋 |
≥98.0% |
136470-78-5 |
1g,5g |
| R129802 |
Raltegravir(MK-0518) |
≥97% |
518048-05-0 |
5mg,10mg,50mg,1g |
抑制新型冠狀病毒(2019-nCoV)的2’-O-核糖 甲基轉移酶的DTI預測結果
| 項目號 |
中文名稱 |
規(guī)格 |
CAS |
包裝 |
| E135556 |
Efavirenz
依法韋侖 |
≥98%(HPLC) |
154598-52-4 |
10mg,50mg,250mg,1g,5g |
| A125825 |
Atazanavir
阿扎那韋 |
- |
198904-31-3 |
10mg,50mg,250mg,5g |
參考文獻
Predicting commercially available antiviral drugs that may act on the novel coronavirus (2019-nCoV), Wuhan, China through a drug-target interaction deep learning model.
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