PMC:7247521 / 9811-10597 JSONTXT

{"project":"LitCovid-PubTator","denotations":[{"id":"153","span":{"begin":591,"end":595},"obj":"Gene"},{"id":"154","span":{"begin":660,"end":664},"obj":"Gene"},{"id":"155","span":{"begin":678,"end":682},"obj":"Gene"},{"id":"156","span":{"begin":702,"end":705},"obj":"Species"},{"id":"157","span":{"begin":611,"end":619},"obj":"Disease"},{"id":"158","span":{"begin":626,"end":634},"obj":"Disease"},{"id":"159","span":{"begin":712,"end":720},"obj":"Disease"},{"id":"160","span":{"begin":729,"end":743},"obj":"Disease"},{"id":"161","span":{"begin":745,"end":763},"obj":"Disease"},{"id":"162","span":{"begin":776,"end":784},"obj":"Disease"},{"id":"163","span":{"begin":400,"end":406},"obj":"CellLine"}],"attributes":[{"id":"A153","pred":"tao:has_database_id","subj":"153","obj":"Gene:6582"},{"id":"A154","pred":"tao:has_database_id","subj":"154","obj":"Gene:2078"},{"id":"A155","pred":"tao:has_database_id","subj":"155","obj":"Gene:2078"},{"id":"A156","pred":"tao:has_database_id","subj":"156","obj":"Tax:10116"},{"id":"A157","pred":"tao:has_database_id","subj":"157","obj":"MESH:D064420"},{"id":"A158","pred":"tao:has_database_id","subj":"158","obj":"MESH:D064420"},{"id":"A159","pred":"tao:has_database_id","subj":"159","obj":"MESH:D064420"},{"id":"A160","pred":"tao:has_database_id","subj":"160","obj":"MESH:D056486"},{"id":"A161","pred":"tao:has_database_id","subj":"161","obj":"MESH:D012871"},{"id":"A162","pred":"tao:has_database_id","subj":"162","obj":"MESH:D064420"},{"id":"A163","pred":"tao:has_database_id","subj":"163","obj":"CVCL:0025"}],"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":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"LitCovid-PMC-OGER-BB","denotations":[{"id":"T99","span":{"begin":46,"end":55},"obj":"CHEBI:36357;CHEBI:36357"},{"id":"T100","span":{"begin":298,"end":313},"obj":"CHEBI:52217;CHEBI:52217"},{"id":"T101","span":{"begin":400,"end":406},"obj":"CL_1"},{"id":"T102","span":{"begin":492,"end":511},"obj":"UBERON:0000120"},{"id":"T103","span":{"begin":516,"end":538},"obj":"UBERON:0001017"},{"id":"T104","span":{"begin":554,"end":563},"obj":"GO:0007588"},{"id":"T105","span":{"begin":585,"end":590},"obj":"UBERON:0002113"},{"id":"T106","span":{"begin":591,"end":595},"obj":"PR:000013036"},{"id":"T107","span":{"begin":621,"end":625},"obj":"CHEBI:34018;CHEBI:34018"},{"id":"T108","span":{"begin":660,"end":664},"obj":"PR:P11308"},{"id":"T109","span":{"begin":667,"end":676},"obj":"CHEBI:35222;CHEBI:35222"},{"id":"T110","span":{"begin":678,"end":682},"obj":"PR:P11308"},{"id":"T111","span":{"begin":686,"end":695},"obj":"CHEBI:35222;CHEBI:35222"},{"id":"T112","span":{"begin":697,"end":701},"obj":"UBERON:0000165"},{"id":"T113","span":{"begin":702,"end":705},"obj":"NCBITaxon:10114"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"LitCovid-PD-FMA-UBERON","denotations":[{"id":"T13","span":{"begin":407,"end":411},"obj":"Body_part"},{"id":"T14","span":{"begin":434,"end":438},"obj":"Body_part"},{"id":"T15","span":{"begin":492,"end":497},"obj":"Body_part"},{"id":"T16","span":{"begin":498,"end":503},"obj":"Body_part"},{"id":"T17","span":{"begin":516,"end":538},"obj":"Body_part"},{"id":"T18","span":{"begin":745,"end":749},"obj":"Body_part"}],"attributes":[{"id":"A13","pred":"fma_id","subj":"T13","obj":"http://purl.org/sig/ont/fma/fma68646"},{"id":"A14","pred":"fma_id","subj":"T14","obj":"http://purl.org/sig/ont/fma/fma7163"},{"id":"A15","pred":"fma_id","subj":"T15","obj":"http://purl.org/sig/ont/fma/fma9670"},{"id":"A16","pred":"fma_id","subj":"T16","obj":"http://purl.org/sig/ont/fma/fma50801"},{"id":"A17","pred":"fma_id","subj":"T17","obj":"http://purl.org/sig/ont/fma/fma55675"},{"id":"A18","pred":"fma_id","subj":"T18","obj":"http://purl.org/sig/ont/fma/fma7163"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"LitCovid-PD-UBERON","denotations":[{"id":"T7","span":{"begin":434,"end":438},"obj":"Body_part"},{"id":"T8","span":{"begin":492,"end":511},"obj":"Body_part"},{"id":"T9","span":{"begin":492,"end":497},"obj":"Body_part"},{"id":"T10","span":{"begin":498,"end":503},"obj":"Body_part"},{"id":"T11","span":{"begin":516,"end":538},"obj":"Body_part"},{"id":"T12","span":{"begin":524,"end":538},"obj":"Body_part"},{"id":"T13","span":{"begin":745,"end":749},"obj":"Body_part"}],"attributes":[{"id":"A7","pred":"uberon_id","subj":"T7","obj":"http://purl.obolibrary.org/obo/UBERON_0000014"},{"id":"A8","pred":"uberon_id","subj":"T8","obj":"http://purl.obolibrary.org/obo/UBERON_0000120"},{"id":"A9","pred":"uberon_id","subj":"T9","obj":"http://purl.obolibrary.org/obo/UBERON_0000178"},{"id":"A10","pred":"uberon_id","subj":"T10","obj":"http://purl.obolibrary.org/obo/UBERON_0000955"},{"id":"A11","pred":"uberon_id","subj":"T11","obj":"http://purl.obolibrary.org/obo/UBERON_0001017"},{"id":"A12","pred":"uberon_id","subj":"T12","obj":"http://purl.obolibrary.org/obo/UBERON_0001016"},{"id":"A13","pred":"uberon_id","subj":"T13","obj":"http://purl.obolibrary.org/obo/UBERON_0000014"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T66","span":{"begin":39,"end":45},"obj":"http://purl.obolibrary.org/obo/CLO_0001658"},{"id":"T67","span":{"begin":132,"end":138},"obj":"http://purl.obolibrary.org/obo/CLO_0001658"},{"id":"T68","span":{"begin":363,"end":365},"obj":"http://purl.obolibrary.org/obo/CLO_0050507"},{"id":"T69","span":{"begin":400,"end":411},"obj":"http://purl.obolibrary.org/obo/CLO_0002172"},{"id":"T70","span":{"begin":434,"end":438},"obj":"http://purl.obolibrary.org/obo/UBERON_0000014"},{"id":"T71","span":{"begin":434,"end":438},"obj":"http://purl.obolibrary.org/obo/UBERON_0001003"},{"id":"T72","span":{"begin":434,"end":438},"obj":"http://purl.obolibrary.org/obo/UBERON_0002097"},{"id":"T73","span":{"begin":434,"end":438},"obj":"http://purl.obolibrary.org/obo/UBERON_0002199"},{"id":"T74","span":{"begin":434,"end":438},"obj":"http://www.ebi.ac.uk/efo/EFO_0000962"},{"id":"T75","span":{"begin":492,"end":497},"obj":"http://purl.obolibrary.org/obo/UBERON_0000178"},{"id":"T76","span":{"begin":492,"end":497},"obj":"http://www.ebi.ac.uk/efo/EFO_0000296"},{"id":"T77","span":{"begin":498,"end":503},"obj":"http://purl.obolibrary.org/obo/UBERON_0000955"},{"id":"T78","span":{"begin":498,"end":503},"obj":"http://www.ebi.ac.uk/efo/EFO_0000302"},{"id":"T79","span":{"begin":516,"end":538},"obj":"http://purl.obolibrary.org/obo/UBERON_0001017"},{"id":"T80","span":{"begin":516,"end":538},"obj":"http://www.ebi.ac.uk/efo/EFO_0000302"},{"id":"T81","span":{"begin":516,"end":538},"obj":"http://www.ebi.ac.uk/efo/EFO_0000908"},{"id":"T82","span":{"begin":745,"end":749},"obj":"http://purl.obolibrary.org/obo/UBERON_0000014"},{"id":"T83","span":{"begin":745,"end":749},"obj":"http://purl.obolibrary.org/obo/UBERON_0001003"},{"id":"T84","span":{"begin":745,"end":749},"obj":"http://purl.obolibrary.org/obo/UBERON_0002097"},{"id":"T85","span":{"begin":745,"end":749},"obj":"http://purl.obolibrary.org/obo/UBERON_0002199"},{"id":"T86","span":{"begin":745,"end":749},"obj":"http://www.ebi.ac.uk/efo/EFO_0000962"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T44","span":{"begin":193,"end":195},"obj":"Chemical"},{"id":"T45","span":{"begin":667,"end":676},"obj":"Chemical"},{"id":"T46","span":{"begin":683,"end":685},"obj":"Chemical"},{"id":"T47","span":{"begin":686,"end":695},"obj":"Chemical"}],"attributes":[{"id":"A44","pred":"chebi_id","subj":"T44","obj":"http://purl.obolibrary.org/obo/CHEBI_74709"},{"id":"A45","pred":"chebi_id","subj":"T45","obj":"http://purl.obolibrary.org/obo/CHEBI_35222"},{"id":"A46","pred":"chebi_id","subj":"T46","obj":"http://purl.obolibrary.org/obo/CHEBI_74067"},{"id":"A47","pred":"chebi_id","subj":"T47","obj":"http://purl.obolibrary.org/obo/CHEBI_35222"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"LitCovid-PD-GO-BP","denotations":[{"id":"T28","span":{"begin":554,"end":563},"obj":"http://purl.obolibrary.org/obo/GO_0007588"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"LitCovid-sentences","denotations":[{"id":"T63","span":{"begin":0,"end":55},"obj":"Sentence"},{"id":"T64","span":{"begin":56,"end":289},"obj":"Sentence"},{"id":"T65","span":{"begin":290,"end":786},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}

{"project":"2_test","denotations":[{"id":"32554251-28256516-6393500","span":{"begin":89,"end":91},"obj":"28256516"},{"id":"32554251-25860834-6393501","span":{"begin":363,"end":365},"obj":"25860834"}],"text":"2.5 ADMET evaluation of the predicted active compounds\nBased on the SwissADME database [21], the physicochemical properties of the active components was predicted, including molecular weight (MW), rotatable bonds count, H-bond acceptors and donors count, TPSA and leadlikeness violations. Second, pharmacokinetic properties was predicted through pkCSM database [22], which contained the absorption (Caco-2 cell permeability, HIA and skin permeability), distribution (VDss, unbound fraction, blood-brain barrier and central nervous system permeability), excretion (total clearance and renal OCT2 substrate) and toxicity (AMES toxicity, maximum tolerated dose, hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity (LD50), hepatotoxicity, skin sensitisation, and minnow toxicity)."}