PMC:7441777 / 19769-20634 JSONTXT

{"project":"LitCovid-PD-FMA-UBERON","denotations":[{"id":"T34","span":{"begin":159,"end":169},"obj":"Body_part"}],"attributes":[{"id":"A34","pred":"fma_id","subj":"T34","obj":"http://purl.org/sig/ont/fma/fma82739"}],"text":"Polyphenols exhibiting binding energy of −7.0 kcal/mol or lower (eight polyphenols) against RdRp of the SARS-CoV-2 are listed in Table 2 along with the ligand-amino acid interactions. Control compounds, GTP and remdesivir, exhibited the binding energy of −7.9 and −7.7 kcal/mol, respectively, against the SARS-CoV-2 RdRp. Eight polyphenols displayed significantly higher binding affinity among the selected hundred natural polyphenols docked against the SARS-CoV-2 RdRp, with binding energies of TF3, TF2b, TF1, TF2a, hesperidin, EGCG, myricetin and quercetagetin as −9.9, −9.6, −9.6, −9.3, −8.8, −7.3, −7.2 and −7.0 kcal/mol, respectively (highlighted in Table 1). Further, 2D LigPlot+ representation of RdRp and the above-mentioned eight polyphenols reveal the stable network of molecular interactions (see Table 2 and Figure S1 in the Supplementary Information)."}

{"project":"LitCovid-PD-MONDO","denotations":[{"id":"T55","span":{"begin":104,"end":112},"obj":"Disease"},{"id":"T56","span":{"begin":305,"end":313},"obj":"Disease"},{"id":"T57","span":{"begin":454,"end":462},"obj":"Disease"}],"attributes":[{"id":"A55","pred":"mondo_id","subj":"T55","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A56","pred":"mondo_id","subj":"T56","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A57","pred":"mondo_id","subj":"T57","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"}],"text":"Polyphenols exhibiting binding energy of −7.0 kcal/mol or lower (eight polyphenols) against RdRp of the SARS-CoV-2 are listed in Table 2 along with the ligand-amino acid interactions. Control compounds, GTP and remdesivir, exhibited the binding energy of −7.9 and −7.7 kcal/mol, respectively, against the SARS-CoV-2 RdRp. Eight polyphenols displayed significantly higher binding affinity among the selected hundred natural polyphenols docked against the SARS-CoV-2 RdRp, with binding energies of TF3, TF2b, TF1, TF2a, hesperidin, EGCG, myricetin and quercetagetin as −9.9, −9.6, −9.6, −9.3, −8.8, −7.3, −7.2 and −7.0 kcal/mol, respectively (highlighted in Table 1). Further, 2D LigPlot+ representation of RdRp and the above-mentioned eight polyphenols reveal the stable network of molecular interactions (see Table 2 and Figure S1 in the Supplementary Information)."}

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T115","span":{"begin":507,"end":510},"obj":"http://purl.obolibrary.org/obo/CLO_0009325"},{"id":"T116","span":{"begin":828,"end":830},"obj":"http://purl.obolibrary.org/obo/CLO_0050050"}],"text":"Polyphenols exhibiting binding energy of −7.0 kcal/mol or lower (eight polyphenols) against RdRp of the SARS-CoV-2 are listed in Table 2 along with the ligand-amino acid interactions. Control compounds, GTP and remdesivir, exhibited the binding energy of −7.9 and −7.7 kcal/mol, respectively, against the SARS-CoV-2 RdRp. Eight polyphenols displayed significantly higher binding affinity among the selected hundred natural polyphenols docked against the SARS-CoV-2 RdRp, with binding energies of TF3, TF2b, TF1, TF2a, hesperidin, EGCG, myricetin and quercetagetin as −9.9, −9.6, −9.6, −9.3, −8.8, −7.3, −7.2 and −7.0 kcal/mol, respectively (highlighted in Table 1). Further, 2D LigPlot+ representation of RdRp and the above-mentioned eight polyphenols reveal the stable network of molecular interactions (see Table 2 and Figure S1 in the Supplementary Information)."}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T277","span":{"begin":71,"end":82},"obj":"Chemical"},{"id":"T278","span":{"begin":152,"end":158},"obj":"Chemical"},{"id":"T279","span":{"begin":159,"end":169},"obj":"Chemical"},{"id":"T280","span":{"begin":159,"end":164},"obj":"Chemical"},{"id":"T281","span":{"begin":165,"end":169},"obj":"Chemical"},{"id":"T282","span":{"begin":203,"end":206},"obj":"Chemical"},{"id":"T284","span":{"begin":211,"end":221},"obj":"Chemical"},{"id":"T285","span":{"begin":328,"end":339},"obj":"Chemical"},{"id":"T286","span":{"begin":423,"end":434},"obj":"Chemical"},{"id":"T287","span":{"begin":496,"end":499},"obj":"Chemical"},{"id":"T288","span":{"begin":518,"end":528},"obj":"Chemical"},{"id":"T289","span":{"begin":530,"end":534},"obj":"Chemical"},{"id":"T290","span":{"begin":536,"end":545},"obj":"Chemical"},{"id":"T292","span":{"begin":550,"end":563},"obj":"Chemical"},{"id":"T293","span":{"begin":740,"end":751},"obj":"Chemical"}],"attributes":[{"id":"A277","pred":"chebi_id","subj":"T277","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"id":"A278","pred":"chebi_id","subj":"T278","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A279","pred":"chebi_id","subj":"T279","obj":"http://purl.obolibrary.org/obo/CHEBI_33709"},{"id":"A280","pred":"chebi_id","subj":"T280","obj":"http://purl.obolibrary.org/obo/CHEBI_46882"},{"id":"A281","pred":"chebi_id","subj":"T281","obj":"http://purl.obolibrary.org/obo/CHEBI_37527"},{"id":"A282","pred":"chebi_id","subj":"T282","obj":"http://purl.obolibrary.org/obo/CHEBI_15996"},{"id":"A283","pred":"chebi_id","subj":"T282","obj":"http://purl.obolibrary.org/obo/CHEBI_37565"},{"id":"A284","pred":"chebi_id","subj":"T284","obj":"http://purl.obolibrary.org/obo/CHEBI_145994"},{"id":"A285","pred":"chebi_id","subj":"T285","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"id":"A286","pred":"chebi_id","subj":"T286","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"id":"A287","pred":"chebi_id","subj":"T287","obj":"http://purl.obolibrary.org/obo/CHEBI_136608"},{"id":"A288","pred":"chebi_id","subj":"T288","obj":"http://purl.obolibrary.org/obo/CHEBI_28775"},{"id":"A289","pred":"chebi_id","subj":"T289","obj":"http://purl.obolibrary.org/obo/CHEBI_4806"},{"id":"A290","pred":"chebi_id","subj":"T290","obj":"http://purl.obolibrary.org/obo/CHEBI_18152"},{"id":"A291","pred":"chebi_id","subj":"T290","obj":"http://purl.obolibrary.org/obo/CHEBI_58395"},{"id":"A292","pred":"chebi_id","subj":"T292","obj":"http://purl.obolibrary.org/obo/CHEBI_8695"},{"id":"A293","pred":"chebi_id","subj":"T293","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"}],"text":"Polyphenols exhibiting binding energy of −7.0 kcal/mol or lower (eight polyphenols) against RdRp of the SARS-CoV-2 are listed in Table 2 along with the ligand-amino acid interactions. Control compounds, GTP and remdesivir, exhibited the binding energy of −7.9 and −7.7 kcal/mol, respectively, against the SARS-CoV-2 RdRp. Eight polyphenols displayed significantly higher binding affinity among the selected hundred natural polyphenols docked against the SARS-CoV-2 RdRp, with binding energies of TF3, TF2b, TF1, TF2a, hesperidin, EGCG, myricetin and quercetagetin as −9.9, −9.6, −9.6, −9.3, −8.8, −7.3, −7.2 and −7.0 kcal/mol, respectively (highlighted in Table 1). Further, 2D LigPlot+ representation of RdRp and the above-mentioned eight polyphenols reveal the stable network of molecular interactions (see Table 2 and Figure S1 in the Supplementary Information)."}

{"project":"LitCovid-PubTator","denotations":[{"id":"446","span":{"begin":92,"end":96},"obj":"Gene"},{"id":"447","span":{"begin":316,"end":320},"obj":"Gene"},{"id":"448","span":{"begin":465,"end":469},"obj":"Gene"},{"id":"449","span":{"begin":501,"end":505},"obj":"Gene"},{"id":"450","span":{"begin":705,"end":709},"obj":"Gene"},{"id":"451","span":{"begin":104,"end":114},"obj":"Species"},{"id":"452","span":{"begin":305,"end":315},"obj":"Species"},{"id":"453","span":{"begin":454,"end":464},"obj":"Species"},{"id":"454","span":{"begin":0,"end":11},"obj":"Chemical"},{"id":"455","span":{"begin":71,"end":82},"obj":"Chemical"},{"id":"456","span":{"begin":203,"end":206},"obj":"Chemical"},{"id":"457","span":{"begin":211,"end":221},"obj":"Chemical"},{"id":"458","span":{"begin":328,"end":339},"obj":"Chemical"},{"id":"459","span":{"begin":423,"end":434},"obj":"Chemical"},{"id":"460","span":{"begin":518,"end":528},"obj":"Chemical"},{"id":"461","span":{"begin":530,"end":534},"obj":"Chemical"},{"id":"462","span":{"begin":536,"end":545},"obj":"Chemical"},{"id":"463","span":{"begin":550,"end":563},"obj":"Chemical"},{"id":"464","span":{"begin":564,"end":566},"obj":"Chemical"},{"id":"465","span":{"begin":740,"end":751},"obj":"Chemical"}],"attributes":[{"id":"A446","pred":"tao:has_database_id","subj":"446","obj":"Gene:43740578"},{"id":"A447","pred":"tao:has_database_id","subj":"447","obj":"Gene:43740578"},{"id":"A448","pred":"tao:has_database_id","subj":"448","obj":"Gene:43740578"},{"id":"A449","pred":"tao:has_database_id","subj":"449","obj":"Gene:2959"},{"id":"A450","pred":"tao:has_database_id","subj":"450","obj":"Gene:43740578"},{"id":"A451","pred":"tao:has_database_id","subj":"451","obj":"Tax:2697049"},{"id":"A452","pred":"tao:has_database_id","subj":"452","obj":"Tax:2697049"},{"id":"A453","pred":"tao:has_database_id","subj":"453","obj":"Tax:2697049"},{"id":"A454","pred":"tao:has_database_id","subj":"454","obj":"MESH:D059808"},{"id":"A455","pred":"tao:has_database_id","subj":"455","obj":"MESH:D059808"},{"id":"A456","pred":"tao:has_database_id","subj":"456","obj":"MESH:D006160"},{"id":"A457","pred":"tao:has_database_id","subj":"457","obj":"MESH:C000606551"},{"id":"A458","pred":"tao:has_database_id","subj":"458","obj":"MESH:D059808"},{"id":"A459","pred":"tao:has_database_id","subj":"459","obj":"MESH:D059808"},{"id":"A460","pred":"tao:has_database_id","subj":"460","obj":"MESH:D006569"},{"id":"A461","pred":"tao:has_database_id","subj":"461","obj":"MESH:C045651"},{"id":"A462","pred":"tao:has_database_id","subj":"462","obj":"MESH:C040015"},{"id":"A463","pred":"tao:has_database_id","subj":"463","obj":"MESH:C079163"},{"id":"A464","pred":"tao:has_database_id","subj":"464","obj":"MESH:D001151"},{"id":"A465","pred":"tao:has_database_id","subj":"465","obj":"MESH:D059808"}],"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":"Polyphenols exhibiting binding energy of −7.0 kcal/mol or lower (eight polyphenols) against RdRp of the SARS-CoV-2 are listed in Table 2 along with the ligand-amino acid interactions. Control compounds, GTP and remdesivir, exhibited the binding energy of −7.9 and −7.7 kcal/mol, respectively, against the SARS-CoV-2 RdRp. Eight polyphenols displayed significantly higher binding affinity among the selected hundred natural polyphenols docked against the SARS-CoV-2 RdRp, with binding energies of TF3, TF2b, TF1, TF2a, hesperidin, EGCG, myricetin and quercetagetin as −9.9, −9.6, −9.6, −9.3, −8.8, −7.3, −7.2 and −7.0 kcal/mol, respectively (highlighted in Table 1). Further, 2D LigPlot+ representation of RdRp and the above-mentioned eight polyphenols reveal the stable network of molecular interactions (see Table 2 and Figure S1 in the Supplementary Information)."}

{"project":"LitCovid-PD-GlycoEpitope","denotations":[{"id":"T5","span":{"begin":507,"end":510},"obj":"GlycoEpitope"}],"attributes":[{"id":"A5","pred":"glyco_epitope_db_id","subj":"T5","obj":"http://www.glycoepitope.jp/epitopes/AN0049"}],"text":"Polyphenols exhibiting binding energy of −7.0 kcal/mol or lower (eight polyphenols) against RdRp of the SARS-CoV-2 are listed in Table 2 along with the ligand-amino acid interactions. Control compounds, GTP and remdesivir, exhibited the binding energy of −7.9 and −7.7 kcal/mol, respectively, against the SARS-CoV-2 RdRp. Eight polyphenols displayed significantly higher binding affinity among the selected hundred natural polyphenols docked against the SARS-CoV-2 RdRp, with binding energies of TF3, TF2b, TF1, TF2a, hesperidin, EGCG, myricetin and quercetagetin as −9.9, −9.6, −9.6, −9.3, −8.8, −7.3, −7.2 and −7.0 kcal/mol, respectively (highlighted in Table 1). Further, 2D LigPlot+ representation of RdRp and the above-mentioned eight polyphenols reveal the stable network of molecular interactions (see Table 2 and Figure S1 in the Supplementary Information)."}

{"project":"LitCovid-sentences","denotations":[{"id":"T201","span":{"begin":0,"end":183},"obj":"Sentence"},{"id":"T202","span":{"begin":184,"end":321},"obj":"Sentence"},{"id":"T203","span":{"begin":322,"end":665},"obj":"Sentence"},{"id":"T204","span":{"begin":666,"end":865},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Polyphenols exhibiting binding energy of −7.0 kcal/mol or lower (eight polyphenols) against RdRp of the SARS-CoV-2 are listed in Table 2 along with the ligand-amino acid interactions. Control compounds, GTP and remdesivir, exhibited the binding energy of −7.9 and −7.7 kcal/mol, respectively, against the SARS-CoV-2 RdRp. Eight polyphenols displayed significantly higher binding affinity among the selected hundred natural polyphenols docked against the SARS-CoV-2 RdRp, with binding energies of TF3, TF2b, TF1, TF2a, hesperidin, EGCG, myricetin and quercetagetin as −9.9, −9.6, −9.6, −9.3, −8.8, −7.3, −7.2 and −7.0 kcal/mol, respectively (highlighted in Table 1). Further, 2D LigPlot+ representation of RdRp and the above-mentioned eight polyphenols reveal the stable network of molecular interactions (see Table 2 and Figure S1 in the Supplementary Information)."}