Deep Drug Discovery of Mac Domain of SARS-CoV-2 (WT) Spike Inhibitors: Using Experimental ACE2 Inhibition TR-FRET Assay, Screening, Molecular Dynamic Simulations and Free Energy Calculations
SARS-CoV-2 exploits the homotrimer transmembrane Spike glycoproteins (S protein) during host cell invasion. The Omicron XBB subvariant, delta, and prototype SARS-CoV-2 receptor-binding domain show similar binding strength to hACE2 (human Angiotensin-Converting Enzyme 2). Here we utilized multiligand...
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| Principais autores: | , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
MDPI AG
2023-08-01
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| 叢編: | Bioengineering |
| 主題: | |
| 在線閱讀: | https://www.mdpi.com/2306-5354/10/8/961 |
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