PMC:7594251 / 66858-67804 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7594251","sourcedb":"PMC","sourceid":"7594251","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7594251","text":"Virtual screening requires a minimum of two inputs, (1) a three-dimensional model of the ligand (drug), and (2) a three-dimensional model of the receptor (protein) [322], the latter generated from the atomic studies of proteins via X-ray crystallography or NMR spectroscopy [323]. Virtual screening is not a truly “stand-alone” technique and has often been combined with additional biophysical techniques besides NMR spectroscopy and/or X-ray crystallography [324], such as differential scanning fluorimetry [325], fluorescence polarization, and surface plasmon resonance [324]. In this section, we briefly introduce how virtual screening has been combined with NMR spectroscopy, and how they are complementary approaches to each other in drug design. The complete details of how virtual screening works, and how it applies to drug design outside of its combination with NMR is well documented in additional reviews [310,322,326,327,328,329,330].","tracks":[{"project":"LitCovid-PD-FMA-UBERON","denotations":[{"id":"T53232","span":{"begin":155,"end":162},"obj":"Body_part"},{"id":"T29588","span":{"begin":219,"end":227},"obj":"Body_part"}],"attributes":[{"id":"A27646","pred":"fma_id","subj":"T53232","obj":"http://purl.org/sig/ont/fma/fma67257"},{"id":"A44623","pred":"fma_id","subj":"T29588","obj":"http://purl.org/sig/ont/fma/fma67257"},{"subj":"T53232","pred":"source","obj":"LitCovid-PD-FMA-UBERON"},{"subj":"T29588","pred":"source","obj":"LitCovid-PD-FMA-UBERON"}]},{"project":"LitCovid-PD-CLO","denotations":[{"id":"T476","span":{"begin":27,"end":28},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T477","span":{"begin":56,"end":57},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T478","span":{"begin":108,"end":113},"obj":"http://purl.obolibrary.org/obo/CLO_0001236"},{"id":"T479","span":{"begin":165,"end":168},"obj":"http://purl.obolibrary.org/obo/CLO_0001294"},{"id":"T480","span":{"begin":306,"end":307},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T481","span":{"begin":342,"end":345},"obj":"http://purl.obolibrary.org/obo/CLO_0051582"},{"id":"T482","span":{"begin":639,"end":642},"obj":"http://purl.obolibrary.org/obo/CLO_0051582"}],"attributes":[{"subj":"T476","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T477","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T478","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T479","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T480","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T481","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T482","pred":"source","obj":"LitCovid-PD-CLO"}]},{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T40024","span":{"begin":89,"end":95},"obj":"Chemical"},{"id":"T61396","span":{"begin":97,"end":101},"obj":"Chemical"},{"id":"T52516","span":{"begin":155,"end":162},"obj":"Chemical"},{"id":"T39565","span":{"begin":219,"end":227},"obj":"Chemical"},{"id":"T23111","span":{"begin":739,"end":743},"obj":"Chemical"},{"id":"T39289","span":{"begin":827,"end":831},"obj":"Chemical"}],"attributes":[{"id":"A47279","pred":"chebi_id","subj":"T40024","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A33327","pred":"chebi_id","subj":"T61396","obj":"http://purl.obolibrary.org/obo/CHEBI_23888"},{"id":"A15887","pred":"chebi_id","subj":"T52516","obj":"http://purl.obolibrary.org/obo/CHEBI_36080"},{"id":"A4214","pred":"chebi_id","subj":"T39565","obj":"http://purl.obolibrary.org/obo/CHEBI_36080"},{"id":"A5372","pred":"chebi_id","subj":"T23111","obj":"http://purl.obolibrary.org/obo/CHEBI_23888"},{"id":"A41432","pred":"chebi_id","subj":"T39289","obj":"http://purl.obolibrary.org/obo/CHEBI_23888"},{"subj":"T40024","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T61396","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T52516","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T39565","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T23111","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T39289","pred":"source","obj":"LitCovid-PD-CHEBI"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T457","span":{"begin":0,"end":280},"obj":"Sentence"},{"id":"T458","span":{"begin":281,"end":578},"obj":"Sentence"},{"id":"T459","span":{"begin":579,"end":751},"obj":"Sentence"},{"id":"T460","span":{"begin":752,"end":946},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T457","pred":"source","obj":"LitCovid-sentences"},{"subj":"T458","pred":"source","obj":"LitCovid-sentences"},{"subj":"T459","pred":"source","obj":"LitCovid-sentences"},{"subj":"T460","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PD-FMA-UBERON","color":"#93c8ec","default":true},{"id":"LitCovid-PD-CLO","color":"#e2ec93"},{"id":"LitCovid-PD-CHEBI","color":"#dc93ec"},{"id":"LitCovid-sentences","color":"#93ecc2"}]}]}}