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10.1016/j.jmgm.2021.107952

http://scihub22266oqcxt.onion/10.1016/j.jmgm.2021.107952
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pmid34119951      J+Mol+Graph+Model 2021 ; 107 (ä): 107952
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  • Examining the interactions scorpion venom peptides (HP1090, Meucin-13, and Meucin-18) with the receptor binding domain of the coronavirus spike protein to design a mutated therapeutic peptide #MMPMID34119951
  • Mahnam K; Lotfi M; Shapoorabadi FA
  • J Mol Graph Model 2021[Sep]; 107 (ä): 107952 PMID34119951show ga
  • The spike protein of SARS-CoV-2 (Severe Acute Respiratory Syndrome coronavirus 2) interacts with the ACE2 receptor in human cells and starts the infection of COVID-19 disease. Given the importance of spike protein's interaction with ACE2 receptor, we selected some antiviral peptides of venom scorpion such as HP1090, meucin-13, and meucin-18 and performed docking and molecular docking analysis of them with the RBD domain of spike protein. The results showed that meucin-18 (FFGHLFKLATKIIPSLFQ) had better interaction with the RBD domain of spike protein than other peptides. We also designed some mutations in meucin-18 and investigated their interactions with the RBD domain. The results revealed that the A9T mutation had more effective interaction with the RBD domain than the meucin-18 and was able to inhibit spike protein's interaction with ACE2 receptor. Hence, peptide "FFGHLFKLTTKIIPSLFQ" can be considered as the potential drug for the treatment of COVID-19 disease.
  • |*COVID-19[MESH]
  • |*Scorpion Venoms[MESH]
  • |Antimicrobial Cationic Peptides[MESH]
  • |Humans[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Protein Binding[MESH]
  • |SARS-CoV-2[MESH]


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