PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 34013265-8 2021 A local analysis of seven key binding pockets reveals that six out them, including those for engaging ACE2, therapeutic mini-proteins, linoleic acid, two different kinds of antibodies, and protein-glycan interaction sites, switch conformations between their known apo- and holo-conformations, even when the global spike conformation is 1RBD-up. Linoleic Acid 135-148 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 314-319 33469977-1 2021 We investigate binding of linoleate and other potential ligands to the recently discovered fatty acid binding site in the SARS-CoV-2 spike protein, using docking and molecular dynamics simulations. Linoleic Acid 26-35 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 133-138 33469977-2 2021 Simulations suggest that linoleate and dexamethasone stabilize the locked spike conformation, thus reducing the opportunity for ACE2 interaction. Linoleic Acid 25-34 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 74-79 33573088-4 2021 Moreover, it was found that linoleic acid, an omega-6 PUFA, could stabilize the spike protein in a closed conformation, blocking its interaction with ACE2. Linoleic Acid 28-41 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 80-85 33573088-6 2021 We found that: (a) countries whose source of omega-3 is from marine origin have lower fatality rates; and (b) like linoleic acid, omega-3 PUFA could also bind to the closed conformation of spike protein and therefore, could help reduce COVID-19 complications by reducing viral entrance to cells, in addition to their known anti-inflammatory effects. Linoleic Acid 115-128 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 189-194 34934478-4 2021 The presence of linoleic acid at this site modulates binding of the spike to the human ACE2 receptor, stabilizing a locked conformation of the protein. Linoleic Acid 16-29 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 68-73 34934478-9 2021 These communication networks significantly involve positions that are prone to mutation, indicating that observed genetic variation in the spike may alter its response to linoleate binding and associated allosteric communication. Linoleic Acid 171-180 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 139-144 32958580-3 2020 Our 2.85 A cryo-EM structure of SARS-CoV-2 spike (S) glycoprotein reveals that the receptor binding domains (RBDs) tightly bind the essential free fatty acid (FFA) linoleic acid (LA) in three composite binding pockets. Linoleic Acid 164-177 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 43-48