PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 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. Fatty Acids 91-101 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 133-138 33872570-9 2021 Molecular docking studies suggested that pelargonidin binds a fatty acid binding pocket on the receptor binding domain of SARS-CoV-2 Spike protein. Fatty Acids 62-72 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 133-138 33469977-6 2021 The SARS-CoV-2 spike fatty acid site may bind a diverse array of ligands, including dietary components, and therefore provides a promising target for therapeutics or prophylaxis. Fatty Acids 21-31 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 15-20 34934478-0 2021 The fatty acid site is coupled to functional motifs in the SARS-CoV-2 spike protein and modulates spike allosteric behaviour. Fatty Acids 4-14 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 70-75 32958580-0 2020 Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein. Fatty Acids 5-15 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 69-74 34934478-0 2021 The fatty acid site is coupled to functional motifs in the SARS-CoV-2 spike protein and modulates spike allosteric behaviour. Fatty Acids 4-14 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 98-103 34934478-2 2021 Recently, a fatty acid binding site was identified in the spike (Toelzer et al. Fatty Acids 12-22 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 58-63 34934478-5 2021 Here, dynamical-nonequilibrium molecular dynamics simulations reveal that this fatty acid site is coupled to functionally relevant regions of the spike, some of them far from the fatty acid binding pocket. Fatty Acids 79-89 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 146-151 34934478-5 2021 Here, dynamical-nonequilibrium molecular dynamics simulations reveal that this fatty acid site is coupled to functionally relevant regions of the spike, some of them far from the fatty acid binding pocket. Fatty Acids 179-189 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 146-151 34934478-6 2021 Removal of a ligand from the fatty acid binding site significantly affects the dynamics of distant, functionally important regions of the spike, including the receptor-binding motif, furin cleavage site and fusion-peptide-adjacent regions. Fatty Acids 29-39 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 138-143 35602928-5 2022 This reveals multiple membrane binding sites in the closed spike head that together prefer convex membranes and are modulated by pH, fatty acids and post-translational modifications including glycosylation. Fatty Acids 133-144 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 59-64 35039570-3 2022 The objective of this study is to investigate the effect of temperature, fatty acids, ions, and protein concentration on the binding behavior and rates of association and dissociation between the S protein and RBD of SARS-CoV-2 and the hydrophobic aminopropylsilane (APS) biosensors using biolayer interferometry (BLI) validated with molecular dynamics simulation. Fatty Acids 73-84 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 196-197 35039570-4 2022 Our results suggest three conditions-high ionic concentration, presence of hydrophobic fatty acids, and low temperature-favor the attachment of S protein and RBD to hydrophobic surfaces. Fatty Acids 87-98 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 144-145