PMC:7755033 / 71024-72149 JSONTXT

{"project":"LitCovid-PubTator","denotations":[{"id":"955","span":{"begin":299,"end":304},"obj":"Gene"},{"id":"956","span":{"begin":305,"end":308},"obj":"Gene"},{"id":"957","span":{"begin":948,"end":954},"obj":"Gene"},{"id":"958","span":{"begin":145,"end":150},"obj":"Gene"},{"id":"959","span":{"begin":713,"end":718},"obj":"Gene"},{"id":"960","span":{"begin":70,"end":75},"obj":"Gene"},{"id":"961","span":{"begin":61,"end":69},"obj":"Species"},{"id":"962","span":{"begin":134,"end":144},"obj":"Species"},{"id":"963","span":{"begin":208,"end":216},"obj":"Species"},{"id":"964","span":{"begin":288,"end":298},"obj":"Species"},{"id":"965","span":{"begin":445,"end":453},"obj":"Species"},{"id":"966","span":{"begin":702,"end":712},"obj":"Species"},{"id":"967","span":{"begin":975,"end":985},"obj":"Species"},{"id":"968","span":{"begin":382,"end":395},"obj":"Chemical"},{"id":"969","span":{"begin":508,"end":515},"obj":"Chemical"},{"id":"970","span":{"begin":526,"end":528},"obj":"Chemical"},{"id":"971","span":{"begin":565,"end":583},"obj":"Chemical"},{"id":"972","span":{"begin":594,"end":596},"obj":"Chemical"},{"id":"973","span":{"begin":672,"end":685},"obj":"Chemical"},{"id":"974","span":{"begin":772,"end":779},"obj":"Chemical"},{"id":"975","span":{"begin":790,"end":792},"obj":"Chemical"},{"id":"976","span":{"begin":827,"end":845},"obj":"Chemical"},{"id":"977","span":{"begin":856,"end":858},"obj":"Chemical"},{"id":"978","span":{"begin":891,"end":904},"obj":"Chemical"},{"id":"979","span":{"begin":1003,"end":1011},"obj":"Chemical"},{"id":"980","span":{"begin":1023,"end":1025},"obj":"Chemical"},{"id":"981","span":{"begin":1061,"end":1079},"obj":"Chemical"}],"attributes":[{"id":"A955","pred":"tao:has_database_id","subj":"955","obj":"Gene:43740578"},{"id":"A956","pred":"tao:has_database_id","subj":"956","obj":"Gene:43740578"},{"id":"A957","pred":"tao:has_database_id","subj":"957","obj":"Gene:43740578"},{"id":"A958","pred":"tao:has_database_id","subj":"958","obj":"Gene:43740568"},{"id":"A959","pred":"tao:has_database_id","subj":"959","obj":"Gene:43740568"},{"id":"A960","pred":"tao:has_database_id","subj":"960","obj":"Gene:43740568"},{"id":"A961","pred":"tao:has_database_id","subj":"961","obj":"Tax:694009"},{"id":"A962","pred":"tao:has_database_id","subj":"962","obj":"Tax:2697049"},{"id":"A963","pred":"tao:has_database_id","subj":"963","obj":"Tax:694009"},{"id":"A964","pred":"tao:has_database_id","subj":"964","obj":"Tax:2697049"},{"id":"A965","pred":"tao:has_database_id","subj":"965","obj":"Tax:694009"},{"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":"A969","pred":"tao:has_database_id","subj":"969","obj":"MESH:C086979"},{"id":"A971","pred":"tao:has_database_id","subj":"971","obj":"MESH:D006886"},{"id":"A974","pred":"tao:has_database_id","subj":"974","obj":"MESH:C086979"},{"id":"A976","pred":"tao:has_database_id","subj":"976","obj":"MESH:D006886"},{"id":"A979","pred":"tao:has_database_id","subj":"979","obj":"MESH:D019808"},{"id":"A981","pred":"tao:has_database_id","subj":"981","obj":"MESH:D006886"}],"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":"On the other hand, withanolide A displayed strong binding to SARS-CoV spike glycoprotein (Table 6; BE: −9.78 kcal/mol, Kd: 67.23 nM), SARS-CoV-2 spike glycoprotein (Table 7; BE: −7.18 kcal/mol, Kd: 5.48 µM), SARS-CoV 3CL-pro main protease (Table 9; BE: –8.93 kcal/mol, Kd: 285.01 nM) and SARS-CoV-2 Nsp10/Nsp-16 complex (Table 11; BE: −10.38 kcal/mol, Kd: 24.67 nM). Interestingly, withanolide A exhibited almost 1000× times stronger binding to SARS-CoV main protease as compared to standard reference drugs arbidol (Table 6; BE: −4.91 kcal/mol, Kd: 251.65 µM) and hydroxychloroquine (Table 6; BE: −5.25 kcal/mol, Kd: 142.18 µM). The same binding profile was observed for withanolide A with respect to SARS-CoV-2 spike glycoprotein as compared to standard reference drugs arbidol (Table 7; BE: −3.14 kcal/mol, Kd: 4.99 mM) and hydroxychloroquine (Table 7; BE: −2.48 kcal/mol, Kd: 15.11 mM). Withanolide A also displayed a 1000× stronger binding to Nsp-10/Nsp-16 complex from SARS-CoV-2 in comparison to losartan (Table 11; BE: −6.49 kcal/mol, Kd: 17.54 µM) and hydroxychloroquine (Table 11; BE: −4.93 kcal/mol, Kd: 244.14 µM)"}

{"project":"LitCovid-sentences","denotations":[{"id":"T624","span":{"begin":0,"end":122},"obj":"Sentence"},{"id":"T625","span":{"begin":123,"end":197},"obj":"Sentence"},{"id":"T626","span":{"begin":198,"end":272},"obj":"Sentence"},{"id":"T627","span":{"begin":273,"end":355},"obj":"Sentence"},{"id":"T628","span":{"begin":356,"end":366},"obj":"Sentence"},{"id":"T629","span":{"begin":367,"end":549},"obj":"Sentence"},{"id":"T630","span":{"begin":550,"end":617},"obj":"Sentence"},{"id":"T631","span":{"begin":618,"end":629},"obj":"Sentence"},{"id":"T632","span":{"begin":630,"end":813},"obj":"Sentence"},{"id":"T633","span":{"begin":814,"end":879},"obj":"Sentence"},{"id":"T634","span":{"begin":880,"end":890},"obj":"Sentence"},{"id":"T635","span":{"begin":891,"end":1046},"obj":"Sentence"},{"id":"T636","span":{"begin":1047,"end":1114},"obj":"Sentence"},{"id":"T637","span":{"begin":1115,"end":1125},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"On the other hand, withanolide A displayed strong binding to SARS-CoV spike glycoprotein (Table 6; BE: −9.78 kcal/mol, Kd: 67.23 nM), SARS-CoV-2 spike glycoprotein (Table 7; BE: −7.18 kcal/mol, Kd: 5.48 µM), SARS-CoV 3CL-pro main protease (Table 9; BE: –8.93 kcal/mol, Kd: 285.01 nM) and SARS-CoV-2 Nsp10/Nsp-16 complex (Table 11; BE: −10.38 kcal/mol, Kd: 24.67 nM). Interestingly, withanolide A exhibited almost 1000× times stronger binding to SARS-CoV main protease as compared to standard reference drugs arbidol (Table 6; BE: −4.91 kcal/mol, Kd: 251.65 µM) and hydroxychloroquine (Table 6; BE: −5.25 kcal/mol, Kd: 142.18 µM). The same binding profile was observed for withanolide A with respect to SARS-CoV-2 spike glycoprotein as compared to standard reference drugs arbidol (Table 7; BE: −3.14 kcal/mol, Kd: 4.99 mM) and hydroxychloroquine (Table 7; BE: −2.48 kcal/mol, Kd: 15.11 mM). Withanolide A also displayed a 1000× stronger binding to Nsp-10/Nsp-16 complex from SARS-CoV-2 in comparison to losartan (Table 11; BE: −6.49 kcal/mol, Kd: 17.54 µM) and hydroxychloroquine (Table 11; BE: −4.93 kcal/mol, Kd: 244.14 µM)"}