PMC:7594251 / 43047-43642 JSONTXT

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T302","span":{"begin":229,"end":230},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T303","span":{"begin":294,"end":295},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"}],"text":"From the overlaid spectra, chemical shift changes are measured, and from the molecular location, extent, and rate of the chemical shift changes, the binding site and affinity of the ligand is calculated [250]. Then, by following a procedure completely analogous to that of FBDD (see Figure 6), a ligand developed from multiple fragments can be optimized for the binding site of interest, again by monitoring the changes in chemical shifts of the target. Several examples of the successful applications of SAR by NMR in drug design research are replete in the scientific literature [204,251,252]."}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T426","span":{"begin":182,"end":188},"obj":"Chemical"},{"id":"T427","span":{"begin":296,"end":302},"obj":"Chemical"},{"id":"T428","span":{"begin":519,"end":523},"obj":"Chemical"}],"attributes":[{"id":"A426","pred":"chebi_id","subj":"T426","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A427","pred":"chebi_id","subj":"T427","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A428","pred":"chebi_id","subj":"T428","obj":"http://purl.obolibrary.org/obo/CHEBI_23888"}],"text":"From the overlaid spectra, chemical shift changes are measured, and from the molecular location, extent, and rate of the chemical shift changes, the binding site and affinity of the ligand is calculated [250]. Then, by following a procedure completely analogous to that of FBDD (see Figure 6), a ligand developed from multiple fragments can be optimized for the binding site of interest, again by monitoring the changes in chemical shifts of the target. Several examples of the successful applications of SAR by NMR in drug design research are replete in the scientific literature [204,251,252]."}

{"project":"LitCovid-PubTator","denotations":[{"id":"566","span":{"begin":505,"end":508},"obj":"Species"},{"id":"567","span":{"begin":273,"end":277},"obj":"Chemical"}],"attributes":[{"id":"A566","pred":"tao:has_database_id","subj":"566","obj":"Tax:2698737"}],"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":"From the overlaid spectra, chemical shift changes are measured, and from the molecular location, extent, and rate of the chemical shift changes, the binding site and affinity of the ligand is calculated [250]. Then, by following a procedure completely analogous to that of FBDD (see Figure 6), a ligand developed from multiple fragments can be optimized for the binding site of interest, again by monitoring the changes in chemical shifts of the target. Several examples of the successful applications of SAR by NMR in drug design research are replete in the scientific literature [204,251,252]."}

{"project":"LitCovid-sentences","denotations":[{"id":"T301","span":{"begin":0,"end":209},"obj":"Sentence"},{"id":"T302","span":{"begin":210,"end":453},"obj":"Sentence"},{"id":"T303","span":{"begin":454,"end":595},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"From the overlaid spectra, chemical shift changes are measured, and from the molecular location, extent, and rate of the chemical shift changes, the binding site and affinity of the ligand is calculated [250]. Then, by following a procedure completely analogous to that of FBDD (see Figure 6), a ligand developed from multiple fragments can be optimized for the binding site of interest, again by monitoring the changes in chemical shifts of the target. Several examples of the successful applications of SAR by NMR in drug design research are replete in the scientific literature [204,251,252]."}