PMC:7594251 / 62794-64111 JSONTXT

{"project":"LitCovid-PD-FMA-UBERON","denotations":[{"id":"T35535","span":{"begin":376,"end":384},"obj":"Body_part"}],"attributes":[{"id":"A6559","pred":"fma_id","subj":"T35535","obj":"http://purl.org/sig/ont/fma/fma67257"}],"text":"Diffusion-based NMR spectroscopy has advantages in ligand based screening applied to drug discovery. For example, Diffusion Ordered Spectroscopy (DOSY) does not require prior separation/purification of the ligand/target solution [298]. Diffusion based NMR allows simultaneous determination of diffusion coefficients in multicomponent systems containing large molecules (i.e., proteins) and possible binding partners (i.e., small drug compounds) [285], and no special labeling or contrasting agents are required, though their use is not exclusively inhibited (for an example of the use of labeled compounds in diffusion NMR spectroscopy, see [299]). A problem occurs when there is significant chemical shift overlap between the binding molecule signals and the target. This situation makes it hard to distinguish the NMR signals [300], and the calculations typically assign an intermediate value to the diffusion rate (i.e., one gets a smear). Multidimensional diffusion NMR pulse sequences are available [301], which may help resolve spectral overlap in 1D experiments [300]. Another issue is that molecules in chemical databases may have generally low solubility [302,303]. Low solubility decreases the overall signal intensity and therefore makes accurately measuring diffusion experiments far more difficult [304]."}

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T456","span":{"begin":33,"end":36},"obj":"http://purl.obolibrary.org/obo/CLO_0051582"},{"id":"T457","span":{"begin":467,"end":475},"obj":"http://purl.obolibrary.org/obo/CLO_0007225"},{"id":"T458","span":{"begin":588,"end":595},"obj":"http://purl.obolibrary.org/obo/CLO_0007225"},{"id":"T459","span":{"begin":649,"end":650},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T460","span":{"begin":744,"end":751},"obj":"http://purl.obolibrary.org/obo/SO_0000418"},{"id":"T461","span":{"begin":820,"end":827},"obj":"http://purl.obolibrary.org/obo/SO_0000418"},{"id":"T462","span":{"begin":933,"end":934},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T463","span":{"begin":1212,"end":1218},"obj":"http://purl.obolibrary.org/obo/SO_0000418"}],"text":"Diffusion-based NMR spectroscopy has advantages in ligand based screening applied to drug discovery. For example, Diffusion Ordered Spectroscopy (DOSY) does not require prior separation/purification of the ligand/target solution [298]. Diffusion based NMR allows simultaneous determination of diffusion coefficients in multicomponent systems containing large molecules (i.e., proteins) and possible binding partners (i.e., small drug compounds) [285], and no special labeling or contrasting agents are required, though their use is not exclusively inhibited (for an example of the use of labeled compounds in diffusion NMR spectroscopy, see [299]). A problem occurs when there is significant chemical shift overlap between the binding molecule signals and the target. This situation makes it hard to distinguish the NMR signals [300], and the calculations typically assign an intermediate value to the diffusion rate (i.e., one gets a smear). Multidimensional diffusion NMR pulse sequences are available [301], which may help resolve spectral overlap in 1D experiments [300]. Another issue is that molecules in chemical databases may have generally low solubility [302,303]. Low solubility decreases the overall signal intensity and therefore makes accurately measuring diffusion experiments far more difficult [304]."}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T134","span":{"begin":51,"end":57},"obj":"Chemical"},{"id":"T58958","span":{"begin":85,"end":89},"obj":"Chemical"},{"id":"T49808","span":{"begin":206,"end":212},"obj":"Chemical"},{"id":"T13572","span":{"begin":220,"end":228},"obj":"Chemical"},{"id":"T138","span":{"begin":359,"end":368},"obj":"Chemical"},{"id":"T93907","span":{"begin":376,"end":384},"obj":"Chemical"},{"id":"T95011","span":{"begin":429,"end":433},"obj":"Chemical"},{"id":"T91115","span":{"begin":735,"end":743},"obj":"Chemical"},{"id":"T6507","span":{"begin":1098,"end":1107},"obj":"Chemical"}],"attributes":[{"id":"A29725","pred":"chebi_id","subj":"T134","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A85770","pred":"chebi_id","subj":"T58958","obj":"http://purl.obolibrary.org/obo/CHEBI_23888"},{"id":"A61366","pred":"chebi_id","subj":"T49808","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A32049","pred":"chebi_id","subj":"T13572","obj":"http://purl.obolibrary.org/obo/CHEBI_75958"},{"id":"A14988","pred":"chebi_id","subj":"T138","obj":"http://purl.obolibrary.org/obo/CHEBI_25367"},{"id":"A27398","pred":"chebi_id","subj":"T93907","obj":"http://purl.obolibrary.org/obo/CHEBI_36080"},{"id":"A7786","pred":"chebi_id","subj":"T95011","obj":"http://purl.obolibrary.org/obo/CHEBI_23888"},{"id":"A69468","pred":"chebi_id","subj":"T91115","obj":"http://purl.obolibrary.org/obo/CHEBI_25367"},{"id":"A86980","pred":"chebi_id","subj":"T6507","obj":"http://purl.obolibrary.org/obo/CHEBI_25367"}],"text":"Diffusion-based NMR spectroscopy has advantages in ligand based screening applied to drug discovery. For example, Diffusion Ordered Spectroscopy (DOSY) does not require prior separation/purification of the ligand/target solution [298]. Diffusion based NMR allows simultaneous determination of diffusion coefficients in multicomponent systems containing large molecules (i.e., proteins) and possible binding partners (i.e., small drug compounds) [285], and no special labeling or contrasting agents are required, though their use is not exclusively inhibited (for an example of the use of labeled compounds in diffusion NMR spectroscopy, see [299]). A problem occurs when there is significant chemical shift overlap between the binding molecule signals and the target. This situation makes it hard to distinguish the NMR signals [300], and the calculations typically assign an intermediate value to the diffusion rate (i.e., one gets a smear). Multidimensional diffusion NMR pulse sequences are available [301], which may help resolve spectral overlap in 1D experiments [300]. Another issue is that molecules in chemical databases may have generally low solubility [302,303]. Low solubility decreases the overall signal intensity and therefore makes accurately measuring diffusion experiments far more difficult [304]."}

{"project":"LitCovid-sentences","denotations":[{"id":"T432","span":{"begin":0,"end":100},"obj":"Sentence"},{"id":"T433","span":{"begin":101,"end":235},"obj":"Sentence"},{"id":"T434","span":{"begin":236,"end":648},"obj":"Sentence"},{"id":"T435","span":{"begin":649,"end":767},"obj":"Sentence"},{"id":"T436","span":{"begin":768,"end":942},"obj":"Sentence"},{"id":"T437","span":{"begin":943,"end":1075},"obj":"Sentence"},{"id":"T438","span":{"begin":1076,"end":1174},"obj":"Sentence"},{"id":"T439","span":{"begin":1175,"end":1317},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Diffusion-based NMR spectroscopy has advantages in ligand based screening applied to drug discovery. For example, Diffusion Ordered Spectroscopy (DOSY) does not require prior separation/purification of the ligand/target solution [298]. Diffusion based NMR allows simultaneous determination of diffusion coefficients in multicomponent systems containing large molecules (i.e., proteins) and possible binding partners (i.e., small drug compounds) [285], and no special labeling or contrasting agents are required, though their use is not exclusively inhibited (for an example of the use of labeled compounds in diffusion NMR spectroscopy, see [299]). A problem occurs when there is significant chemical shift overlap between the binding molecule signals and the target. This situation makes it hard to distinguish the NMR signals [300], and the calculations typically assign an intermediate value to the diffusion rate (i.e., one gets a smear). Multidimensional diffusion NMR pulse sequences are available [301], which may help resolve spectral overlap in 1D experiments [300]. Another issue is that molecules in chemical databases may have generally low solubility [302,303]. Low solubility decreases the overall signal intensity and therefore makes accurately measuring diffusion experiments far more difficult [304]."}