SSAA09E2 is a novel inhibitor of SARS-CoV replication, acting by blocking early interactions of SARS-S with the receptor for SARS-CoV, Angiotensin Converting Enzyme-2 (ACE2).
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描述 | Human Coronaviruses (HCoV), periodically emerging across the world, are potential threat to humans such as severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) - diseases termed as COVID-19[2].The SARS-CoV-2 mechanism of infection process is triggered by direct binding of the SARS-CoV-2 receptor-binding domain (RBD) to the host cell receptor, Angiotensin-converting enzyme 2 (ACE2). Both Nilotinib and SSAA09E2 can induce significant conformational changes in the ACE2-RBD complex, intervene with the hydrogen bonds, and influence the flexibility of proteins. Moreover, essential dynamics analysis suggests that the presence of small molecules can trigger large-scale conformational changes that may destabilize the ACE2-RBD complex[3].SSAA09E2 is an inhibitor of SARS-CoV replication, acting by blocking early interactions of SARS-S with the receptor for SARS-CoV, angiotensin converting enzyme 2 (ACE2). SSAA09E2 inhibit fusion only when added prior to overlay of SARS-S 293T cells with ACE2-expressing TZM-bl cells,consistent with the above data suggesting that it interferes directly with SARS-S RBD–ACE2 interactions.[4]. Experiment showed that SSAA09E2 can induce significant conformational changes in the ACE2-RBD complex, intervene with the hydrogen bonds, and influence the flexibility of proteins[3]. SSAA09E2 with remdesivir or favipiravir could also significantly restrain the COVID-19 virus at the entry and replication stage[5]. |
计算器 | ||||
存储液制备 | ![]() |
1mg | 5mg | 10mg |
1 mM 5 mM 10 mM |
3.33mL 0.67mL 0.33mL |
16.65mL 3.33mL 1.66mL |
33.29mL 6.66mL 3.33mL |
CAS号 | 883944-52-3 |
分子式 | C16H20N4O2 |
分子量 | 300.36 |
SMILES Code | O=C(C1=CC=NO1)NCC2=CC=C(N3CCN(C)CC3)C=C2 |
MDL No. | N/A |
别名 | |
运输 | 蓝冰 |
InChI Key | OMRXBNSVRJWWAZ-UHFFFAOYSA-N |
Pubchem ID | 2738575 |
存储条件 |
In solvent -20°C:3-6个月-80°C:12个月 Pure form Inert atmosphere, room temperature |