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阿拉丁多款试剂助力新冠病毒药物研发---筛选治疗2019-nCoV潜在活性药物
2020-03-09
新型冠状病毒(2019-nCoV)疫情正在迅速向全球蔓延。截止2020年3月6日，全球累计98373人， 累计死亡3388人。由于目前没有特效药可以治疗新冠肺炎，治疗新冠肺炎的药物研发迫在眉睫。通过以AI为架构的药物筛选手段，可以发现多种可能对2019-nCoV有治疗作用的药物及化合物。阿拉丁提供以下几十款试剂作为此药物研发的研发用材料。
韩国Deargen公司、美国佐治亚州亚特兰大市埃默里大学、韩国天安市担国大学自然科学学院联，利用药物-靶点相互作用模型（MT-DTI），预测了与新型冠状病毒(2019-nCoV) 3C样蛋白酶、RNA依赖RNA聚合酶、解旋酶、3 '- 5 '核酸外切酶、内切RNA酶、内切RNA酶的药物及化合物。
抑制新型冠状病毒(2019-nCoV) 3C样蛋白酶的DTI预测结果
| 项目号 | 产品名称 | 纯度 | CAS | 规格 |
|---|---|---|---|---|
| A125825 | Atazanavir 阿扎那韦 | - | 198904-31-3 | 10mg,50mg,250mg,5g |
| E135556 | Efavirenz 依法韦仑 | ≥98%(HPLC) | 154598-52-4 | 10mg,50mg,250mg,1g,5g |
| R126586 | 利托那韦 Ritonavir | ≥98% | 155213-67-5 | 10mg,50mg,250mg,500mg |
| D127636 | 多替拉韦 Dolutegravir | ≥99% | 1051375-16-6 | 5mg,10mg,50mg |
| A126103 | Asunaprevir 阿那匹韦 | ≥98% | 630420-16-5 | 5mg,10mg,50mg,250mg |
| S127117 | Simeprevir 西咪匹韦 | ≥99% | 923604-59-5 | 5mg,10mg,50mg,100mg |
抑制新型冠状病毒(2019-nCoV)的RNA依赖RNA聚合酶的DTI预测结果
| 项目号 | 产品名称 | 纯度 | CAS | 规格 |
|---|---|---|---|---|
| M124903 | MK-5172 | 98% | 1350514-68-9 | 5mg,10mg |
| G129109 | Ganciclovir 更昔洛韦 | ≥98.0% | 82410-32-0 | 1g,5g,25g,100g |
| A125825 | Atazanavir 阿扎那韦 | - | 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 恩替卡韦 | 98% | 142217-69-4 | 250mg,1g |
| E135556 | Efavirenz 依法韦仑 | ≥98%(HPLC) | 154598-52-4 | 10mg,50mg,250mg,1g,5g |
| A126103 | Asunaprevir 阿那匹韦 | ≥98% | 630420-16-5 | 5mg,10mg,50mg,250mg |
| A126552 | Abacavir 阿巴卡韦 | ≥98.0% | 136470-78-5 | 1g,5g |
| D127636 | 多替拉韦 Dolutegravir | ≥99% | 1051375-16-6 | 5mg,10mg,50mg |
| V127611 | VX-222 (VCH-222, Lomibuvir) | ≥99% | 1026785-59-0 | 5mg,10mg,50mg |
| P125160 | Penciclovir 喷昔洛韦 | ≥99% | 39809-25-1 | 50mg,250mg,1g |
| D127014 | Danoprevir (ITMN-191) | ≥95% | 850876-88-9 | 2mg,5mg,25mg |
| R126586 | 利托那韦 Ritonavir | ≥98% | 155213-67-5 | 10mg,50mg,250mg,500mg |
| S126514 | 沙奎那韦 Saquinavir | ≥98% | 127779-20-8 | 25mg,100mg |
| R129802 | Raltegravir(MK-0518) | ≥97% | 518048-05-0 | 5mg,10mg,50mg,1g |
抑制新型冠状病毒(2019-nCoV)的解旋酶的DTI预测结果
| 项目号 | 中文名称 | 规格 | CAS | 包装 |
|---|---|---|---|---|
| S127117 | Simeprevir 西咪匹韦 | ≥99% | 923604-59-5 | 5mg,10mg,50mg,100mg |
| A125825 | Atazanavir 阿扎那韦 | - | 198904-31-3 | 10mg,50mg,250mg,5g |
| M124903 | MK-5172 | 98% | 1350514-68-9 | 5mg,10mg |
| A126103 | Asunaprevir 阿那匹韦 | ≥98% | 630420-16-5 | 5mg,10mg,50mg,250mg |
| T126775 | Telaprevir 特拉匹韦 | ≥98% | 402957-28-2 | 5mg,10mg,50mg |
| R126586 | 利托那韦 Ritonavir | ≥98% | 155213-67-5 | 10mg,50mg,250mg,500mg |
| L299096 | 洛比那韦 Lopinavir | 95% | 192725-17-0 | 10mg,50mg,250mg,1g |
| L129320 | 洛比那韦 Lopinavir | ≥99% | 192725-17-0 | 10mg,50mg,100mg,250mg,1g |
| D125841 | 达芦那韦 Darunavir | 98% | 206361-99-1 | 5mg,10mg,50mg,250mg,1g |
| G129109 | Ganciclovir 更昔洛韦 | ≥98.0% | 82410-32-0 | 1g,5g,25g,100g |
| P125160 | Penciclovir 喷昔洛韦 | ≥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 | 多替拉韦 Dolutegravir | ≥99% | 1051375-16-6 | 5mg,10mg,50mg |
| N137745 | 奈非那韦 Nelfinavir Mesylate | 98% | 159989-65-8 | 10mg,50mg,250mg |
| E135556 | Efavirenz 依法韦仑 | ≥98%(HPLC) | 154598-52-4 | 10mg,50mg,250mg,1g,5g |
| E181466 | Entecavir 恩替卡韦 | 98% | 142217-69-4 | 250mg,1g |
| R126586 | 利托那韦 Ritonavir | ≥98% | 155213-67-5 | 10mg,50mg,250mg,500mg |
| V127611 | VX-222 (VCH-222, Lomibuvir) | ≥99% | 1026785-59-0 | 5mg,10mg,50mg |
抑制新型冠状病毒(2019-nCoV)的3 '- 5 '核酸外切酶的DTI预测结果
| 项目号 | 中文名称 | 规格 | CAS | 包装 |
|---|---|---|---|---|
| S127117 | Simeprevir 西咪匹韦 | ≥99% | 923604-59-5 | 5mg,10mg,50mg,100mg |
| E135556 | Efavirenz 依法韦仑 | ≥98%(HPLC) | 154598-52-4 | 10mg,50mg,250mg,1g,5g |
| D127014 | Danoprevir (ITMN-191) | ≥95% | 850876-88-9 | 2mg,5mg,25mg |
| G129109 | Ganciclovir 更昔洛韦 | ≥98.0% | 82410-32-0 | 1g,5g,25g,100g |
| P125160 | Penciclovir 喷昔洛韦 | ≥99% | 39809-25-1 | 50mg,250mg,1g |
| A125825 | Atazanavir 阿扎那韦 | - | 198904-31-3 | 10mg,50mg,250mg,5g |
| E181466 | Entecavir 恩替卡韦 | 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 阿那匹韦 | ≥98% | 630420-16-5 | 5mg,10mg,50mg,250mg |
| R126586 | 利托那韦 Ritonavir | ≥98% | 155213-67-5 | 10mg,50mg,250mg,500mg |
| V127611 | VX-222 (VCH-222, Lomibuvir) | ≥99% | 1026785-59-0 | 5mg,10mg,50mg |
| D125841 | 达芦那韦 Darunavir | 98% | 206361-99-1 | 5mg,10mg,50mg,250mg,1g |
| R129802 | Raltegravir(MK-0518) | ≥97% | 518048-05-0 | 5mg,10mg,50mg,1g |
| D127636 | 多替拉韦 Dolutegravir | ≥99% | 1051375-16-6 | 5mg,10mg,50mg |
| L299096 | 洛比那韦 Lopinavir | 95% | 192725-17-0 | 10mg,50mg,250mg,1g |
| L129320 | 洛比那韦 Lopinavir | ≥99% | 192725-17-0 | 10mg,50mg,100mg,250mg,1g |
抑制新型冠状病毒(2019-nCoV)的内切RNA酶的DTI预测结果
| 项目号 | 中文名称 | 规格 | CAS | 包装 |
|---|---|---|---|---|
| E135556 | Efavirenz 依法韦仑 | ≥98%(HPLC) | 154598-52-4 | 10mg,50mg,250mg,1g,5g |
| A125825 | Atazanavir 阿扎那韦 | - | 198904-31-3 | 10mg,50mg,250mg,5g |
| R126586 | 利托那韦 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 | 多替拉韦 Dolutegravir | ≥99% | 1051375-16-6 | 5mg,10mg,50mg |
| V127611 | VX-222 (VCH-222, Lomibuvir) | ≥99% | 1026785-59-0 | 5mg,10mg,50mg |
| L299096 | 洛比那韦 Lopinavir | 95% | 192725-17-0 | 10mg,50mg,250mg,1g |
| L129320 | 洛比那韦 Lopinavir | ≥99% | 192725-17-0 | 10mg,50mg,100mg,250mg,1g |
| D125841 | 达芦那韦 Darunavir | 98% | 206361-99-1 | 5mg,10mg,50mg,250mg,1g |
| N137745 | 奈非那韦 Nelfinavir Mesylate | 98% | 159989-65-8 | 10mg,50mg,250mg |
| T126775 | Telaprevir 特拉匹韦 | ≥98% | 402957-28-2 | 5mg,10mg,50mg |
| A126552 | Abacavir 阿巴卡韦 | ≥98.0% | 136470-78-5 | 1g,5g |
| R129802 | Raltegravir(MK-0518) | ≥97% | 518048-05-0 | 5mg,10mg,50mg,1g |
抑制新型冠状病毒(2019-nCoV)的2’-O-核糖 甲基转移酶的DTI预测结果
| 项目号 | 中文名称 | 规格 | CAS | 包装 |
|---|---|---|---|---|
| E135556 | Efavirenz 依法韦仑 | ≥98%(HPLC) | 154598-52-4 | 10mg,50mg,250mg,1g,5g |
| A125825 | Atazanavir 阿扎那韦 | - | 198904-31-3 | 10mg,50mg,250mg,5g |
参考文献
Predicting commercially available antiviral drugs that may act on the novel coronavirus (2019-nCoV), Wuhan, China through a drug-target interaction deep learning model.
