PMC:7441777 / 25868-26415 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7441777","sourcedb":"PMC","sourceid":"7441777","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7441777","text":"Next, we investigated the structural stability of remdesivir and eight polyphenols by estimating the temporal RMSDs of heavy atoms relative to their respective initial coordinates (see Figure S2B in the Supplementary Information). It is evident from Figure S2B that EGCG, myricetin, quercetagetin, TF1, TF3 displayed a rigid behavior in the bound form with an average RMSD of \u003c 1.0 Å. However, remdesivir, TF2a, TF2b and hesperidin showed higher fluctuations as compared to the abovementioned polyphenols, and an average RMSD of \u003e 2.0 Å was noted.","tracks":[{"project":"LitCovid-PD-CLO","denotations":[{"id":"T163","span":{"begin":298,"end":301},"obj":"http://purl.obolibrary.org/obo/CLO_0009325"},{"id":"T164","span":{"begin":317,"end":318},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T165","span":{"begin":382,"end":383},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T166","span":{"begin":535,"end":536},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"}],"attributes":[{"subj":"T163","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T164","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T165","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T166","pred":"source","obj":"LitCovid-PD-CLO"}]},{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T367","span":{"begin":50,"end":60},"obj":"Chemical"},{"id":"T368","span":{"begin":71,"end":82},"obj":"Chemical"},{"id":"T369","span":{"begin":125,"end":130},"obj":"Chemical"},{"id":"T370","span":{"begin":266,"end":270},"obj":"Chemical"},{"id":"T371","span":{"begin":272,"end":281},"obj":"Chemical"},{"id":"T373","span":{"begin":283,"end":296},"obj":"Chemical"},{"id":"T374","span":{"begin":303,"end":306},"obj":"Chemical"},{"id":"T375","span":{"begin":394,"end":404},"obj":"Chemical"},{"id":"T376","span":{"begin":421,"end":431},"obj":"Chemical"},{"id":"T377","span":{"begin":493,"end":504},"obj":"Chemical"}],"attributes":[{"id":"A367","pred":"chebi_id","subj":"T367","obj":"http://purl.obolibrary.org/obo/CHEBI_145994"},{"id":"A368","pred":"chebi_id","subj":"T368","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"id":"A369","pred":"chebi_id","subj":"T369","obj":"http://purl.obolibrary.org/obo/CHEBI_33250"},{"id":"A370","pred":"chebi_id","subj":"T370","obj":"http://purl.obolibrary.org/obo/CHEBI_4806"},{"id":"A371","pred":"chebi_id","subj":"T371","obj":"http://purl.obolibrary.org/obo/CHEBI_18152"},{"id":"A372","pred":"chebi_id","subj":"T371","obj":"http://purl.obolibrary.org/obo/CHEBI_58395"},{"id":"A373","pred":"chebi_id","subj":"T373","obj":"http://purl.obolibrary.org/obo/CHEBI_8695"},{"id":"A374","pred":"chebi_id","subj":"T374","obj":"http://purl.obolibrary.org/obo/CHEBI_136608"},{"id":"A375","pred":"chebi_id","subj":"T375","obj":"http://purl.obolibrary.org/obo/CHEBI_145994"},{"id":"A376","pred":"chebi_id","subj":"T376","obj":"http://purl.obolibrary.org/obo/CHEBI_28775"},{"id":"A377","pred":"chebi_id","subj":"T377","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"subj":"T367","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T368","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T369","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T370","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T371","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T373","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T374","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T375","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T376","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T377","pred":"source","obj":"LitCovid-PD-CHEBI"}]},{"project":"LitCovid-PD-GO-BP","denotations":[{"id":"T10","span":{"begin":325,"end":333},"obj":"http://purl.obolibrary.org/obo/GO_0007610"}],"attributes":[{"subj":"T10","pred":"source","obj":"LitCovid-PD-GO-BP"}]},{"project":"LitCovid-PubTator","denotations":[{"id":"623","span":{"begin":412,"end":416},"obj":"Gene"},{"id":"624","span":{"begin":50,"end":60},"obj":"Chemical"},{"id":"625","span":{"begin":71,"end":82},"obj":"Chemical"},{"id":"626","span":{"begin":266,"end":270},"obj":"Chemical"},{"id":"627","span":{"begin":272,"end":281},"obj":"Chemical"},{"id":"628","span":{"begin":283,"end":296},"obj":"Chemical"},{"id":"629","span":{"begin":394,"end":404},"obj":"Chemical"},{"id":"630","span":{"begin":421,"end":431},"obj":"Chemical"},{"id":"631","span":{"begin":493,"end":504},"obj":"Chemical"}],"attributes":[{"id":"A623","pred":"tao:has_database_id","subj":"623","obj":"Gene:2959"},{"id":"A624","pred":"tao:has_database_id","subj":"624","obj":"MESH:C000606551"},{"id":"A625","pred":"tao:has_database_id","subj":"625","obj":"MESH:D059808"},{"id":"A626","pred":"tao:has_database_id","subj":"626","obj":"MESH:C045651"},{"id":"A627","pred":"tao:has_database_id","subj":"627","obj":"MESH:C040015"},{"id":"A628","pred":"tao:has_database_id","subj":"628","obj":"MESH:C079163"},{"id":"A629","pred":"tao:has_database_id","subj":"629","obj":"MESH:C000606551"},{"id":"A630","pred":"tao:has_database_id","subj":"630","obj":"MESH:D006569"},{"id":"A631","pred":"tao:has_database_id","subj":"631","obj":"MESH:D059808"},{"subj":"623","pred":"source","obj":"LitCovid-PubTator"},{"subj":"624","pred":"source","obj":"LitCovid-PubTator"},{"subj":"625","pred":"source","obj":"LitCovid-PubTator"},{"subj":"626","pred":"source","obj":"LitCovid-PubTator"},{"subj":"627","pred":"source","obj":"LitCovid-PubTator"},{"subj":"628","pred":"source","obj":"LitCovid-PubTator"},{"subj":"629","pred":"source","obj":"LitCovid-PubTator"},{"subj":"630","pred":"source","obj":"LitCovid-PubTator"},{"subj":"631","pred":"source","obj":"LitCovid-PubTator"}],"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_"}]},{"project":"LitCovid-PD-GlycoEpitope","denotations":[{"id":"T12","span":{"begin":298,"end":301},"obj":"GlycoEpitope"}],"attributes":[{"id":"A12","pred":"glyco_epitope_db_id","subj":"T12","obj":"http://www.glycoepitope.jp/epitopes/AN0049"},{"subj":"T12","pred":"source","obj":"LitCovid-PD-GlycoEpitope"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T253","span":{"begin":231,"end":384},"obj":"Sentence"},{"id":"T254","span":{"begin":385,"end":547},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T253","pred":"source","obj":"LitCovid-sentences"},{"subj":"T254","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PD-CLO","color":"#dc93ec","default":true},{"id":"LitCovid-PD-CHEBI","color":"#93ecc2"},{"id":"LitCovid-PD-GO-BP","color":"#eca893"},{"id":"LitCovid-PubTator","color":"#9397ec"},{"id":"LitCovid-PD-GlycoEpitope","color":"#b2ec93"},{"id":"LitCovid-sentences","color":"#ec93cc"}]}]}}