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10.1038/s41401-021-00735-z

http://scihub22266oqcxt.onion/10.1038/s41401-021-00735-z
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34349236!8334341!34349236
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suck abstract from ncbi

pmid34349236      Acta+Pharmacol+Sin 2022 ; 43 (4): 788-796
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  • Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein #MMPMID34349236
  • Wang L; Wu Y; Yao S; Ge H; Zhu Y; Chen K; Chen WZ; Zhang Y; Zhu W; Wang HY; Guo Y; Ma PX; Ren PX; Zhang XL; Li HQ; Ali MA; Xu WQ; Jiang HL; Zhang LK; Zhu LL; Ye Y; Shang WJ; Bai F
  • Acta Pharmacol Sin 2022[Apr]; 43 (4): 788-796 PMID34349236show ga
  • 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 K(D)) of 0.0947 microM and anti-virus IC(50) of 85.75 microM.
  • |*COVID-19 Drug Treatment[MESH]
  • |*Spike Glycoprotein, Coronavirus[MESH]
  • |Humans[MESH]
  • |Protein Binding[MESH]


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