SSAA09E2

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Chemical Structure| 883944-52-3 同义名 : -
CAS号 : 883944-52-3
货号 : A1481140
分子式 : C16H20N4O2
纯度 : 98%+
分子量 : 300.36
MDL号 : N/A
存储条件:

Pure form Inert atmosphere, room temperature

In solvent -20°C:3-6个月-80°C:12个月

溶解度 : -
动物实验配方:
生物活性
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].
实验方案
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

参考文献

[1]Razizadeh M, Nikfar M, Liu Y. Small Molecule Therapeutics to Destabilize the ACE2-RBD Complex: a Molecular Dynamics Study. Biophys J. 2021 Jun 29:S0006-3495(21)00503-8. doi: 10.1016/j.bpj.2021.06.016. Epub ahead of print. PMID: 34214539; PMCID: PMC8241573.

[2]Nikhil Kirtipal,et al. From SARS to SARS-CoV-2, insights on structure, pathogenicity and immunity aspects of pandemic human coronaviruses. nfect Genet Evol. 2020 Nov;85:104502.

[3]Razizadeh, M., Nikfar, M., Liu, Y. Small Molecule therapeutics to destabilize the ACE2-RBD complex: A molecular dynamics study. Biophys J. 2021. 120(14), 2793-2804.

[4] Adeyemi O Adedeji,et al. Novel inhibitors of severe acute respiratory syndrome coronavirus entry that act by three distinct mechanisms. J Virol. 2013 Jul;87(14):8017-28.

[5]Bibi, N., Gul, S. et al. Viroinformatics approach to explore the inhibitory mechanism of existing drugs repurposed to fight against COVID-19. Eur J Pharmacol. 2020. 885, 173496.