ACE2:S1 RBD interaction-targeted peptides and small molecules as potential COVID-19 therapeutics was written by Chitsike, Lennox;Krstenansky, John;Duerksen-Hughes, Penelope J.. And the article was included in Advances in Pharmacological and Pharmaceutical Sciences in 2021.Reference of 883944-52-3 This article mentions the following:
The COVID-19 pandemic that began in late 2019 continues with new challenges arising due to antigenic drift as well as individuals who cannot or choose not to take the vaccine. There is therefore an urgent need for addnl. therapies that complement vaccines and approved therapies such as antibodies in the fight to end or slow down the pandemic. SARS-CoV-2 initiates invasion of the human target cell through direct contact between the receptor-binding domain of its Spike protein and its cellular receptor, angiotensin-converting enzyme-2 (ACE2). The ACE2 and S1 RBD interaction, therefore, represents an attractive therapeutic intervention to prevent viral entry and spread. In this study, we developed a proximity-based AlphaScreen assay that can be utilized to quickly and efficiently screen for inhibitors that perturb the ACE2:S1 RBD interaction. We then designed several peptides candidates from motifs in ACE2 and S1 RBD that play critical roles in the interaction, with and without modifications to the native sequences. We also assessed the possibility of reprofiling of candidate small mols. that previously have been shown to interfere with the viral entry of SARS-CoV. Using our optimized AlphaScreen assay, we evaluated the activity and specificity of these peptides and small mols. in inhibiting the binding of ACE2:S1 RBD. This screen identified cepharanthine as a promising candidate for development as a SARS-CoV-2 entry inhibitor. In the experiment, the researchers used many compounds, for example, N-(4-(4-Methylpiperazin-1-yl)benzyl)isoxazole-5-carboxamide (cas: 883944-52-3Reference of 883944-52-3).
N-(4-(4-Methylpiperazin-1-yl)benzyl)isoxazole-5-carboxamide (cas: 883944-52-3) belongs to isoxazole derivatives.Synthetically, isoxazoles serve as valuable precursors for the construction of diverse molecules, including many natural products. Isoxazole can be synthesised via a variety of methods. Examples include via the reaction of hydroxylamine with 1,3-diketones or derivatives of propiolic acid.Reference of 883944-52-3
Referemce:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem