PMC:7279430 / 24288-25114 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7279430","sourcedb":"PMC","sourceid":"7279430","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7279430","text":"4. Conclusions\nA molecular docking analysis was carried out using 171 essential oil components with the SARS-CoV-2 main protease (SARS-CoV-2 Mpro), SARS-CoV-2 endoribonucleoase (SARS-CoV-2 Nsp15/NendoU), SARS-CoV-2 ADP-ribose-1″-phosphatase (SARS-CoV-2 ADRP), SARS-CoV-2 RNA-dependent RNA polymerase (SARS-CoV-2 RdRp), the binding domain of the SARS-CoV-2 spike protein (SARS-CoV-2 rS), and human angiotensin-converting enzyme (hACE2). The best docking ligands for the SARS-CoV target proteins were (E,E)-α-farnesene, (E)-β-farnesene, and (E,E)-farnesol. The docking energies were relatively weak, however, and are unlikely to interact with the virus targets. However, essential oil components may act synergistically, essential oils may potentiate other antiviral agents, or they may provide some relief of COVID-19 symptoms.","divisions":[{"label":"title","span":{"begin":0,"end":14}}],"tracks":[{"project":"LitCovid-PD-FMA-UBERON","denotations":[{"id":"T63","span":{"begin":271,"end":274},"obj":"Body_part"},{"id":"T64","span":{"begin":285,"end":288},"obj":"Body_part"},{"id":"T65","span":{"begin":362,"end":369},"obj":"Body_part"},{"id":"T66","span":{"begin":485,"end":493},"obj":"Body_part"}],"attributes":[{"id":"A63","pred":"fma_id","subj":"T63","obj":"http://purl.org/sig/ont/fma/fma67095"},{"id":"A64","pred":"fma_id","subj":"T64","obj":"http://purl.org/sig/ont/fma/fma67095"},{"id":"A65","pred":"fma_id","subj":"T65","obj":"http://purl.org/sig/ont/fma/fma67257"},{"id":"A66","pred":"fma_id","subj":"T66","obj":"http://purl.org/sig/ont/fma/fma67257"},{"subj":"T63","pred":"source","obj":"LitCovid-PD-FMA-UBERON"},{"subj":"T64","pred":"source","obj":"LitCovid-PD-FMA-UBERON"},{"subj":"T65","pred":"source","obj":"LitCovid-PD-FMA-UBERON"},{"subj":"T66","pred":"source","obj":"LitCovid-PD-FMA-UBERON"}]},{"project":"LitCovid-PubTator","denotations":[{"id":"953","span":{"begin":141,"end":145},"obj":"Gene"},{"id":"954","span":{"begin":312,"end":316},"obj":"Gene"},{"id":"955","span":{"begin":356,"end":361},"obj":"Gene"},{"id":"956","span":{"begin":397,"end":426},"obj":"Gene"},{"id":"957","span":{"begin":428,"end":433},"obj":"Gene"},{"id":"958","span":{"begin":104,"end":114},"obj":"Species"},{"id":"959","span":{"begin":130,"end":140},"obj":"Species"},{"id":"960","span":{"begin":148,"end":158},"obj":"Species"},{"id":"961","span":{"begin":178,"end":188},"obj":"Species"},{"id":"962","span":{"begin":204,"end":214},"obj":"Species"},{"id":"963","span":{"begin":242,"end":252},"obj":"Species"},{"id":"964","span":{"begin":260,"end":270},"obj":"Species"},{"id":"965","span":{"begin":301,"end":311},"obj":"Species"},{"id":"966","span":{"begin":345,"end":355},"obj":"Species"},{"id":"967","span":{"begin":371,"end":381},"obj":"Species"},{"id":"968","span":{"begin":391,"end":396},"obj":"Species"},{"id":"969","span":{"begin":469,"end":477},"obj":"Species"},{"id":"970","span":{"begin":502,"end":506},"obj":"Species"},{"id":"971","span":{"begin":518,"end":533},"obj":"Chemical"},{"id":"972","span":{"begin":539,"end":553},"obj":"Chemical"},{"id":"973","span":{"begin":669,"end":682},"obj":"Chemical"},{"id":"974","span":{"begin":719,"end":733},"obj":"Chemical"},{"id":"975","span":{"begin":808,"end":816},"obj":"Disease"}],"attributes":[{"id":"A953","pred":"tao:has_database_id","subj":"953","obj":"Gene:8673700"},{"id":"A954","pred":"tao:has_database_id","subj":"954","obj":"Gene:43740578"},{"id":"A955","pred":"tao:has_database_id","subj":"955","obj":"Gene:43740568"},{"id":"A956","pred":"tao:has_database_id","subj":"956","obj":"Gene:1636"},{"id":"A957","pred":"tao:has_database_id","subj":"957","obj":"Gene:59272"},{"id":"A958","pred":"tao:has_database_id","subj":"958","obj":"Tax:2697049"},{"id":"A959","pred":"tao:has_database_id","subj":"959","obj":"Tax:2697049"},{"id":"A960","pred":"tao:has_database_id","subj":"960","obj":"Tax:2697049"},{"id":"A961","pred":"tao:has_database_id","subj":"961","obj":"Tax:2697049"},{"id":"A962","pred":"tao:has_database_id","subj":"962","obj":"Tax:2697049"},{"id":"A963","pred":"tao:has_database_id","subj":"963","obj":"Tax:2697049"},{"id":"A964","pred":"tao:has_database_id","subj":"964","obj":"Tax:2697049"},{"id":"A965","pred":"tao:has_database_id","subj":"965","obj":"Tax:2697049"},{"id":"A966","pred":"tao:has_database_id","subj":"966","obj":"Tax:2697049"},{"id":"A967","pred":"tao:has_database_id","subj":"967","obj":"Tax:2697049"},{"id":"A968","pred":"tao:has_database_id","subj":"968","obj":"Tax:9606"},{"id":"A969","pred":"tao:has_database_id","subj":"969","obj":"Tax:694009"},{"id":"A970","pred":"tao:has_database_id","subj":"970","obj":"Tax:114629"},{"id":"A973","pred":"tao:has_database_id","subj":"973","obj":"MESH:D009822"},{"id":"A974","pred":"tao:has_database_id","subj":"974","obj":"MESH:D009822"},{"id":"A975","pred":"tao:has_database_id","subj":"975","obj":"MESH:C000657245"},{"subj":"953","pred":"source","obj":"LitCovid-PubTator"},{"subj":"954","pred":"source","obj":"LitCovid-PubTator"},{"subj":"955","pred":"source","obj":"LitCovid-PubTator"},{"subj":"956","pred":"source","obj":"LitCovid-PubTator"},{"subj":"957","pred":"source","obj":"LitCovid-PubTator"},{"subj":"958","pred":"source","obj":"LitCovid-PubTator"},{"subj":"959","pred":"source","obj":"LitCovid-PubTator"},{"subj":"960","pred":"source","obj":"LitCovid-PubTator"},{"subj":"961","pred":"source","obj":"LitCovid-PubTator"},{"subj":"962","pred":"source","obj":"LitCovid-PubTator"},{"subj":"963","pred":"source","obj":"LitCovid-PubTator"},{"subj":"964","pred":"source","obj":"LitCovid-PubTator"},{"subj":"965","pred":"source","obj":"LitCovid-PubTator"},{"subj":"966","pred":"source","obj":"LitCovid-PubTator"},{"subj":"967","pred":"source","obj":"LitCovid-PubTator"},{"subj":"968","pred":"source","obj":"LitCovid-PubTator"},{"subj":"969","pred":"source","obj":"LitCovid-PubTator"},{"subj":"970","pred":"source","obj":"LitCovid-PubTator"},{"subj":"971","pred":"source","obj":"LitCovid-PubTator"},{"subj":"972","pred":"source","obj":"LitCovid-PubTator"},{"subj":"973","pred":"source","obj":"LitCovid-PubTator"},{"subj":"974","pred":"source","obj":"LitCovid-PubTator"},{"subj":"975","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-MONDO","denotations":[{"id":"T128","span":{"begin":104,"end":112},"obj":"Disease"},{"id":"T129","span":{"begin":130,"end":138},"obj":"Disease"},{"id":"T130","span":{"begin":148,"end":156},"obj":"Disease"},{"id":"T131","span":{"begin":178,"end":186},"obj":"Disease"},{"id":"T132","span":{"begin":204,"end":212},"obj":"Disease"},{"id":"T133","span":{"begin":242,"end":250},"obj":"Disease"},{"id":"T134","span":{"begin":260,"end":268},"obj":"Disease"},{"id":"T135","span":{"begin":301,"end":309},"obj":"Disease"},{"id":"T136","span":{"begin":345,"end":353},"obj":"Disease"},{"id":"T137","span":{"begin":371,"end":379},"obj":"Disease"},{"id":"T138","span":{"begin":469,"end":477},"obj":"Disease"},{"id":"T139","span":{"begin":808,"end":816},"obj":"Disease"}],"attributes":[{"id":"A128","pred":"mondo_id","subj":"T128","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A129","pred":"mondo_id","subj":"T129","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A130","pred":"mondo_id","subj":"T130","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A131","pred":"mondo_id","subj":"T131","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A132","pred":"mondo_id","subj":"T132","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A133","pred":"mondo_id","subj":"T133","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A134","pred":"mondo_id","subj":"T134","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A135","pred":"mondo_id","subj":"T135","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A136","pred":"mondo_id","subj":"T136","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A137","pred":"mondo_id","subj":"T137","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A138","pred":"mondo_id","subj":"T138","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A139","pred":"mondo_id","subj":"T139","obj":"http://purl.obolibrary.org/obo/MONDO_0100096"},{"subj":"T128","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T129","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T130","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T131","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T132","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T133","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T134","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T135","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T136","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T137","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T138","pred":"source","obj":"LitCovid-PD-MONDO"},{"subj":"T139","pred":"source","obj":"LitCovid-PD-MONDO"}]},{"project":"LitCovid-PD-CLO","denotations":[{"id":"T166","span":{"begin":15,"end":16},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T167","span":{"begin":382,"end":384},"obj":"http://purl.obolibrary.org/obo/CLO_0008882"},{"id":"T168","span":{"begin":391,"end":396},"obj":"http://purl.obolibrary.org/obo/NCBITaxon_9606"},{"id":"T169","span":{"begin":645,"end":650},"obj":"http://purl.obolibrary.org/obo/NCBITaxon_10239"}],"attributes":[{"subj":"T166","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T167","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T168","pred":"source","obj":"LitCovid-PD-CLO"},{"subj":"T169","pred":"source","obj":"LitCovid-PD-CLO"}]},{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T381","span":{"begin":70,"end":94},"obj":"Chemical"},{"id":"T382","span":{"begin":70,"end":83},"obj":"Chemical"},{"id":"T383","span":{"begin":215,"end":218},"obj":"Chemical"},{"id":"T386","span":{"begin":219,"end":225},"obj":"Chemical"},{"id":"T388","span":{"begin":362,"end":369},"obj":"Chemical"},{"id":"T389","span":{"begin":397,"end":408},"obj":"Chemical"},{"id":"T390","span":{"begin":453,"end":460},"obj":"Chemical"},{"id":"T391","span":{"begin":485,"end":493},"obj":"Chemical"},{"id":"T392","span":{"begin":507,"end":516},"obj":"Chemical"},{"id":"T393","span":{"begin":524,"end":533},"obj":"Chemical"},{"id":"T394","span":{"begin":539,"end":553},"obj":"Chemical"},{"id":"T395","span":{"begin":545,"end":553},"obj":"Chemical"},{"id":"T396","span":{"begin":669,"end":693},"obj":"Chemical"},{"id":"T397","span":{"begin":669,"end":682},"obj":"Chemical"},{"id":"T398","span":{"begin":719,"end":733},"obj":"Chemical"},{"id":"T399","span":{"begin":755,"end":771},"obj":"Chemical"}],"attributes":[{"id":"A381","pred":"chebi_id","subj":"T381","obj":"http://purl.obolibrary.org/obo/CHEBI_27311"},{"id":"A382","pred":"chebi_id","subj":"T382","obj":"http://purl.obolibrary.org/obo/CHEBI_83630"},{"id":"A383","pred":"chebi_id","subj":"T383","obj":"http://purl.obolibrary.org/obo/CHEBI_16761"},{"id":"A384","pred":"chebi_id","subj":"T383","obj":"http://purl.obolibrary.org/obo/CHEBI_456216"},{"id":"A385","pred":"chebi_id","subj":"T383","obj":"http://purl.obolibrary.org/obo/CHEBI_73342"},{"id":"A386","pred":"chebi_id","subj":"T386","obj":"http://purl.obolibrary.org/obo/CHEBI_33942"},{"id":"A387","pred":"chebi_id","subj":"T386","obj":"http://purl.obolibrary.org/obo/CHEBI_47013"},{"id":"A388","pred":"chebi_id","subj":"T388","obj":"http://purl.obolibrary.org/obo/CHEBI_36080"},{"id":"A389","pred":"chebi_id","subj":"T389","obj":"http://purl.obolibrary.org/obo/CHEBI_48433"},{"id":"A390","pred":"chebi_id","subj":"T390","obj":"http://purl.obolibrary.org/obo/CHEBI_52214"},{"id":"A391","pred":"chebi_id","subj":"T391","obj":"http://purl.obolibrary.org/obo/CHEBI_36080"},{"id":"A392","pred":"chebi_id","subj":"T392","obj":"http://purl.obolibrary.org/obo/CHEBI_39237"},{"id":"A393","pred":"chebi_id","subj":"T393","obj":"http://purl.obolibrary.org/obo/CHEBI_39237"},{"id":"A394","pred":"chebi_id","subj":"T394","obj":"http://purl.obolibrary.org/obo/CHEBI_16619"},{"id":"A395","pred":"chebi_id","subj":"T395","obj":"http://purl.obolibrary.org/obo/CHEBI_28600"},{"id":"A396","pred":"chebi_id","subj":"T396","obj":"http://purl.obolibrary.org/obo/CHEBI_27311"},{"id":"A397","pred":"chebi_id","subj":"T397","obj":"http://purl.obolibrary.org/obo/CHEBI_83630"},{"id":"A398","pred":"chebi_id","subj":"T398","obj":"http://purl.obolibrary.org/obo/CHEBI_83630"},{"id":"A399","pred":"chebi_id","subj":"T399","obj":"http://purl.obolibrary.org/obo/CHEBI_22587"},{"subj":"T381","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T382","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T383","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T386","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T388","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T389","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T390","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T391","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T392","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T393","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T394","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T395","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T396","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T397","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T398","pred":"source","obj":"LitCovid-PD-CHEBI"},{"subj":"T399","pred":"source","obj":"LitCovid-PD-CHEBI"}]},{"project":"LitCovid-PD-GO-BP","denotations":[{"id":"T17","span":{"begin":229,"end":240},"obj":"http://purl.obolibrary.org/obo/GO_0016791"}],"attributes":[{"subj":"T17","pred":"source","obj":"LitCovid-PD-GO-BP"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T175","span":{"begin":0,"end":2},"obj":"Sentence"},{"id":"T176","span":{"begin":3,"end":14},"obj":"Sentence"},{"id":"T177","span":{"begin":15,"end":435},"obj":"Sentence"},{"id":"T178","span":{"begin":436,"end":554},"obj":"Sentence"},{"id":"T179","span":{"begin":555,"end":659},"obj":"Sentence"},{"id":"T180","span":{"begin":660,"end":826},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T175","pred":"source","obj":"LitCovid-sentences"},{"subj":"T176","pred":"source","obj":"LitCovid-sentences"},{"subj":"T177","pred":"source","obj":"LitCovid-sentences"},{"subj":"T178","pred":"source","obj":"LitCovid-sentences"},{"subj":"T179","pred":"source","obj":"LitCovid-sentences"},{"subj":"T180","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PD-FMA-UBERON","color":"#ec93e9","default":true},{"id":"LitCovid-PubTator","color":"#93ecd5"},{"id":"LitCovid-PD-MONDO","color":"#ecbb93"},{"id":"LitCovid-PD-CLO","color":"#a193ec"},{"id":"LitCovid-PD-CHEBI","color":"#9fec93"},{"id":"LitCovid-PD-GO-BP","color":"#ec93b9"},{"id":"LitCovid-sentences","color":"#93d3ec"}]}]}}