| Autor: |
Linet, Amrutham, Joseph, Manu M., Haritha, Mambatta, Shamna, K., Varughese, Sunil, Devi, P. Sujatha, Suresh, C. H., Maiti, Kaustabh Kumar, Neogi, Ishita |
| Předmět: |
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| Zdroj: |
New Journal of Chemistry; 10/14/2021, Vol. 45 Issue 38, p17777-17781, 5p |
| Abstrakt: |
The recent outbreak of the COVID-19 pandemic is caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), which infects human epithelial tissue by interaction of the receptor-binding domain of its spike protein (S-protein) with angiotensin-converting enzyme 2 (ACE2). Herein, we synthesized suitably configured Tröger's bases (TB-1/2/3) and investigated molecular docking of TBs at the interface of SARS-CoV-2 S-protein and ACE2, which revealed a high docking score indicating strong binding. Detailed analysis of docking highlights strong binding of TB-2 into the interfacial domain of SARS-CoV-2 S-protein and ACE2. Furthermore, for the first time, we explored surface-enhanced Raman scattering (SERS) modality to assess intermolecular interactions between TBs and SARS-CoV-2 S-protein and ACE2. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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