MassIVE MSV000096835

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The development of a high throughput screening platform using mass spectrometry for the discovery of potential inhibitors against SARS-CoV-2 Omicron Receptor-Binding Domain and human Angiotensin-Converting Enzyme 2 binding interaction from traditional Chinese medicine

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Description

The coronavirus disease 2019 (COVID-19) pandemic, initiated by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), continues to spread worldwide. The entry of SARS-CoV-2 into human cells relies on the interaction between the receptor- binding domain (RBD) of the spike protein on the surface of the virus and the angiotensin-converting enzyme 2 (ACE2) receptor on the surface of human cells. Consequently, disrupting the interaction between the spike protein and ACE2 is a promising strategy for preventing SARS-CoV-2 infection and treating SARS-CoV-2 infected patients. To discover potential drugs for SARS-CoV-2 from traditional Chinese medicines (TCMs), we established a plat-form combining ACE2-conjugated magnetic particles, a spike protein, a C18 plate, and MALDI-TOF for rapid screening of potential TCM candidates for SARS-CoV-2. After screening over 100 TCMs, some were found to effectively inhibit the binding interaction between ACE2 and spike proteins. We further identified three active compounds in these TCMs that could inhibit the binding between ACE2 and the spike protein of the Omicron variant. These three compounds also showed potent activity in blocking viral entry in a SARS-CoV-2 viral pseudo-particles (Vpp) cell-based assay. [doi:10.25345/C53F4M08R] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: SARS-CoV-2, RBD, ACE2, Mass spectrometry ; DatasetType:Other (protein)

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Principal Investigators:
(in alphabetical order) 		Chao-Jung Chen, China Medical University, Taiwan
Submitting User: cjchen_01
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