PMC:7279430 / 27432-27953 JSONTXT

{"project":"LitCovid-PD-FMA-UBERON","denotations":[{"id":"T79","span":{"begin":358,"end":368},"obj":"Body_part"},{"id":"T80","span":{"begin":429,"end":439},"obj":"Body_part"}],"attributes":[{"id":"A79","pred":"fma_id","subj":"T79","obj":"http://purl.org/sig/ont/fma/fma82739"},{"id":"A80","pred":"fma_id","subj":"T80","obj":"http://purl.org/sig/ont/fma/fma82739"}],"text":"Figure 2 Lowest-energy docked poses of (E,E)-farnesol and (E)-nerolidol with the SARS-CoV-2 main protease (PDB: 6Y84). (A) Ribbon structure of the enzyme and (E,E)-farnesol (magenta) and (E)-nerolidol (orange). (B) Solid structure of the enzyme showing (E,E)-farnesol (magenta) and (E)-nerolidol (orange) in the binding cleft. (C) Important interactions of amino acid residues with (E,E)-farnesol. (D) Important interactions of amino acid residues with (E)-nerolidol. Hydrogen bonds are indicated with blue dashed lines."}

{"project":"LitCovid-PubTator","denotations":[{"id":"1587","span":{"begin":82,"end":92},"obj":"Species"},{"id":"1588","span":{"begin":40,"end":54},"obj":"Chemical"},{"id":"1589","span":{"begin":59,"end":72},"obj":"Chemical"},{"id":"1590","span":{"begin":159,"end":173},"obj":"Chemical"},{"id":"1591","span":{"begin":188,"end":201},"obj":"Chemical"},{"id":"1592","span":{"begin":254,"end":268},"obj":"Chemical"},{"id":"1593","span":{"begin":270,"end":277},"obj":"Chemical"},{"id":"1594","span":{"begin":283,"end":296},"obj":"Chemical"},{"id":"1595","span":{"begin":383,"end":397},"obj":"Chemical"},{"id":"1596","span":{"begin":454,"end":467},"obj":"Chemical"},{"id":"1597","span":{"begin":469,"end":477},"obj":"Chemical"}],"attributes":[{"id":"A1587","pred":"tao:has_database_id","subj":"1587","obj":"Tax:2697049"},{"id":"A1593","pred":"tao:has_database_id","subj":"1593","obj":"MESH:D012394"},{"id":"A1597","pred":"tao:has_database_id","subj":"1597","obj":"MESH:D006859"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}],"text":"Figure 2 Lowest-energy docked poses of (E,E)-farnesol and (E)-nerolidol with the SARS-CoV-2 main protease (PDB: 6Y84). (A) Ribbon structure of the enzyme and (E,E)-farnesol (magenta) and (E)-nerolidol (orange). (B) Solid structure of the enzyme showing (E,E)-farnesol (magenta) and (E)-nerolidol (orange) in the binding cleft. (C) Important interactions of amino acid residues with (E,E)-farnesol. (D) Important interactions of amino acid residues with (E)-nerolidol. Hydrogen bonds are indicated with blue dashed lines."}

{"project":"LitCovid-PD-MONDO","denotations":[{"id":"T160","span":{"begin":82,"end":90},"obj":"Disease"}],"attributes":[{"id":"A160","pred":"mondo_id","subj":"T160","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"}],"text":"Figure 2 Lowest-energy docked poses of (E,E)-farnesol and (E)-nerolidol with the SARS-CoV-2 main protease (PDB: 6Y84). (A) Ribbon structure of the enzyme and (E,E)-farnesol (magenta) and (E)-nerolidol (orange). (B) Solid structure of the enzyme showing (E,E)-farnesol (magenta) and (E)-nerolidol (orange) in the binding cleft. (C) Important interactions of amino acid residues with (E,E)-farnesol. (D) Important interactions of amino acid residues with (E)-nerolidol. Hydrogen bonds are indicated with blue dashed lines."}

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T217","span":{"begin":121,"end":122},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T218","span":{"begin":213,"end":214},"obj":"http://purl.obolibrary.org/obo/CLO_0001021"},{"id":"T219","span":{"begin":358,"end":377},"obj":"http://purl.obolibrary.org/obo/CHEBI_33708"},{"id":"T220","span":{"begin":358,"end":377},"obj":"http://purl.obolibrary.org/obo/PR_000036907"},{"id":"T221","span":{"begin":429,"end":448},"obj":"http://purl.obolibrary.org/obo/CHEBI_33708"},{"id":"T222","span":{"begin":429,"end":448},"obj":"http://purl.obolibrary.org/obo/PR_000036907"}],"text":"Figure 2 Lowest-energy docked poses of (E,E)-farnesol and (E)-nerolidol with the SARS-CoV-2 main protease (PDB: 6Y84). (A) Ribbon structure of the enzyme and (E,E)-farnesol (magenta) and (E)-nerolidol (orange). (B) Solid structure of the enzyme showing (E,E)-farnesol (magenta) and (E)-nerolidol (orange) in the binding cleft. (C) Important interactions of amino acid residues with (E,E)-farnesol. (D) Important interactions of amino acid residues with (E)-nerolidol. Hydrogen bonds are indicated with blue dashed lines."}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T421","span":{"begin":40,"end":54},"obj":"Chemical"},{"id":"T422","span":{"begin":46,"end":54},"obj":"Chemical"},{"id":"T423","span":{"begin":63,"end":72},"obj":"Chemical"},{"id":"T424","span":{"begin":159,"end":173},"obj":"Chemical"},{"id":"T425","span":{"begin":165,"end":173},"obj":"Chemical"},{"id":"T426","span":{"begin":175,"end":182},"obj":"Chemical"},{"id":"T427","span":{"begin":192,"end":201},"obj":"Chemical"},{"id":"T428","span":{"begin":254,"end":268},"obj":"Chemical"},{"id":"T429","span":{"begin":260,"end":268},"obj":"Chemical"},{"id":"T430","span":{"begin":270,"end":277},"obj":"Chemical"},{"id":"T431","span":{"begin":287,"end":296},"obj":"Chemical"},{"id":"T432","span":{"begin":358,"end":368},"obj":"Chemical"},{"id":"T433","span":{"begin":358,"end":363},"obj":"Chemical"},{"id":"T434","span":{"begin":364,"end":368},"obj":"Chemical"},{"id":"T435","span":{"begin":383,"end":397},"obj":"Chemical"},{"id":"T436","span":{"begin":389,"end":397},"obj":"Chemical"},{"id":"T437","span":{"begin":429,"end":439},"obj":"Chemical"},{"id":"T438","span":{"begin":429,"end":434},"obj":"Chemical"},{"id":"T439","span":{"begin":435,"end":439},"obj":"Chemical"},{"id":"T440","span":{"begin":458,"end":467},"obj":"Chemical"},{"id":"T441","span":{"begin":469,"end":477},"obj":"Chemical"}],"attributes":[{"id":"A421","pred":"chebi_id","subj":"T421","obj":"http://purl.obolibrary.org/obo/CHEBI_16619"},{"id":"A422","pred":"chebi_id","subj":"T422","obj":"http://purl.obolibrary.org/obo/CHEBI_28600"},{"id":"A423","pred":"chebi_id","subj":"T423","obj":"http://purl.obolibrary.org/obo/CHEBI_7524"},{"id":"A424","pred":"chebi_id","subj":"T424","obj":"http://purl.obolibrary.org/obo/CHEBI_16619"},{"id":"A425","pred":"chebi_id","subj":"T425","obj":"http://purl.obolibrary.org/obo/CHEBI_28600"},{"id":"A426","pred":"chebi_id","subj":"T426","obj":"http://purl.obolibrary.org/obo/CHEBI_87661"},{"id":"A427","pred":"chebi_id","subj":"T427","obj":"http://purl.obolibrary.org/obo/CHEBI_7524"},{"id":"A428","pred":"chebi_id","subj":"T428","obj":"http://purl.obolibrary.org/obo/CHEBI_16619"},{"id":"A429","pred":"chebi_id","subj":"T429","obj":"http://purl.obolibrary.org/obo/CHEBI_28600"},{"id":"A430","pred":"chebi_id","subj":"T430","obj":"http://purl.obolibrary.org/obo/CHEBI_87661"},{"id":"A431","pred":"chebi_id","subj":"T431","obj":"http://purl.obolibrary.org/obo/CHEBI_7524"},{"id":"A432","pred":"chebi_id","subj":"T432","obj":"http://purl.obolibrary.org/obo/CHEBI_33709"},{"id":"A433","pred":"chebi_id","subj":"T433","obj":"http://purl.obolibrary.org/obo/CHEBI_46882"},{"id":"A434","pred":"chebi_id","subj":"T434","obj":"http://purl.obolibrary.org/obo/CHEBI_37527"},{"id":"A435","pred":"chebi_id","subj":"T435","obj":"http://purl.obolibrary.org/obo/CHEBI_16619"},{"id":"A436","pred":"chebi_id","subj":"T436","obj":"http://purl.obolibrary.org/obo/CHEBI_28600"},{"id":"A437","pred":"chebi_id","subj":"T437","obj":"http://purl.obolibrary.org/obo/CHEBI_33709"},{"id":"A438","pred":"chebi_id","subj":"T438","obj":"http://purl.obolibrary.org/obo/CHEBI_46882"},{"id":"A439","pred":"chebi_id","subj":"T439","obj":"http://purl.obolibrary.org/obo/CHEBI_37527"},{"id":"A440","pred":"chebi_id","subj":"T440","obj":"http://purl.obolibrary.org/obo/CHEBI_7524"},{"id":"A441","pred":"chebi_id","subj":"T441","obj":"http://purl.obolibrary.org/obo/CHEBI_18276"}],"text":"Figure 2 Lowest-energy docked poses of (E,E)-farnesol and (E)-nerolidol with the SARS-CoV-2 main protease (PDB: 6Y84). (A) Ribbon structure of the enzyme and (E,E)-farnesol (magenta) and (E)-nerolidol (orange). (B) Solid structure of the enzyme showing (E,E)-farnesol (magenta) and (E)-nerolidol (orange) in the binding cleft. (C) Important interactions of amino acid residues with (E,E)-farnesol. (D) Important interactions of amino acid residues with (E)-nerolidol. Hydrogen bonds are indicated with blue dashed lines."}

{"project":"LitCovid-sentences","denotations":[{"id":"T224","span":{"begin":0,"end":112},"obj":"Sentence"},{"id":"T225","span":{"begin":113,"end":468},"obj":"Sentence"},{"id":"T226","span":{"begin":469,"end":521},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Figure 2 Lowest-energy docked poses of (E,E)-farnesol and (E)-nerolidol with the SARS-CoV-2 main protease (PDB: 6Y84). (A) Ribbon structure of the enzyme and (E,E)-farnesol (magenta) and (E)-nerolidol (orange). (B) Solid structure of the enzyme showing (E,E)-farnesol (magenta) and (E)-nerolidol (orange) in the binding cleft. (C) Important interactions of amino acid residues with (E,E)-farnesol. (D) Important interactions of amino acid residues with (E)-nerolidol. Hydrogen bonds are indicated with blue dashed lines."}