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- W3192258665 abstract "An epidemic of pneumonia caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is spreading worldwide. SARS-CoV-2 relies on its spike protein to invade host cells by interacting with the human receptor protein Angiotensin-Converting Enzymes 2 (ACE2). Therefore, designing an antibody or small-molecular entry blockers is of great significance for virus prevention and treatment. This study identified five potential small molecular anti-virus blockers via targeting SARS-CoV-2 spike protein by combining in silico technologies with in vitro experimental methods. The five molecules were natural products that binding to the RBD domain of SARS-CoV-2 was qualitatively and quantitively validated by both native Mass Spectrometry (MS) and Surface Plasmon Resonance (SPR). Anti-viral activity assays showed that the optimal molecule, H69C2, had a strong binding affinity (dissociation constant KD) of 0.0947 µM and anti-virus IC50 of 85.75 µM." @default.
- W3192258665 created "2021-08-16" @default.
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- W3192258665 date "2021-08-04" @default.
- W3192258665 modified "2023-10-07" @default.
- W3192258665 title "Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein" @default.
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- W3192258665 doi "https://doi.org/10.1038/s41401-021-00735-z" @default.
- W3192258665 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8334341" @default.
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- W3192258665 hasPublicationYear "2021" @default.
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