PMC:7755033 / 31166-32823 JSONTXT

{"project":"LitCovid-PubTator","denotations":[{"id":"532","span":{"begin":27,"end":29},"obj":"Species"},{"id":"533","span":{"begin":94,"end":102},"obj":"Chemical"},{"id":"534","span":{"begin":104,"end":116},"obj":"Chemical"},{"id":"535","span":{"begin":118,"end":128},"obj":"Chemical"},{"id":"536","span":{"begin":130,"end":137},"obj":"Chemical"},{"id":"537","span":{"begin":139,"end":157},"obj":"Chemical"},{"id":"538","span":{"begin":159,"end":169},"obj":"Chemical"},{"id":"539","span":{"begin":171,"end":181},"obj":"Chemical"},{"id":"558","span":{"begin":357,"end":365},"obj":"Chemical"},{"id":"559","span":{"begin":390,"end":398},"obj":"Chemical"},{"id":"560","span":{"begin":486,"end":498},"obj":"Chemical"},{"id":"561","span":{"begin":543,"end":554},"obj":"Chemical"},{"id":"562","span":{"begin":601,"end":612},"obj":"Chemical"},{"id":"563","span":{"begin":659,"end":670},"obj":"Chemical"},{"id":"564","span":{"begin":717,"end":728},"obj":"Chemical"},{"id":"565","span":{"begin":776,"end":785},"obj":"Chemical"},{"id":"566","span":{"begin":830,"end":844},"obj":"Chemical"},{"id":"567","span":{"begin":892,"end":901},"obj":"Chemical"},{"id":"568","span":{"begin":946,"end":958},"obj":"Chemical"},{"id":"569","span":{"begin":1005,"end":1013},"obj":"Chemical"},{"id":"570","span":{"begin":1057,"end":1069},"obj":"Chemical"},{"id":"571","span":{"begin":1114,"end":1124},"obj":"Chemical"},{"id":"572","span":{"begin":1167,"end":1174},"obj":"Chemical"},{"id":"573","span":{"begin":1215,"end":1233},"obj":"Chemical"},{"id":"574","span":{"begin":1279,"end":1289},"obj":"Chemical"},{"id":"575","span":{"begin":1331,"end":1341},"obj":"Chemical"},{"id":"579","span":{"begin":1584,"end":1594},"obj":"Chemical"},{"id":"580","span":{"begin":1637,"end":1646},"obj":"Chemical"},{"id":"581","span":{"begin":1651,"end":1656},"obj":"Chemical"}],"attributes":[{"id":"A532","pred":"tao:has_database_id","subj":"532","obj":"Tax:126910"},{"id":"A534","pred":"tao:has_database_id","subj":"534","obj":"MESH:D011342"},{"id":"A535","pred":"tao:has_database_id","subj":"535","obj":"MESH:D000069449"},{"id":"A536","pred":"tao:has_database_id","subj":"536","obj":"MESH:C086979"},{"id":"A537","pred":"tao:has_database_id","subj":"537","obj":"MESH:D006886"},{"id":"A539","pred":"tao:has_database_id","subj":"539","obj":"MESH:C557213"},{"id":"A558","pred":"tao:has_database_id","subj":"558","obj":"MESH:D006859"},{"id":"A559","pred":"tao:has_database_id","subj":"559","obj":"MESH:D006859"},{"id":"A561","pred":"tao:has_database_id","subj":"561","obj":"MESH:D054358"},{"id":"A562","pred":"tao:has_database_id","subj":"562","obj":"MESH:D054358"},{"id":"A563","pred":"tao:has_database_id","subj":"563","obj":"MESH:D054358"},{"id":"A564","pred":"tao:has_database_id","subj":"564","obj":"MESH:D054358"},{"id":"A565","pred":"tao:has_database_id","subj":"565","obj":"MESH:C560597"},{"id":"A568","pred":"tao:has_database_id","subj":"568","obj":"MESH:C568582"},{"id":"A570","pred":"tao:has_database_id","subj":"570","obj":"MESH:D011342"},{"id":"A571","pred":"tao:has_database_id","subj":"571","obj":"MESH:D000069449"},{"id":"A572","pred":"tao:has_database_id","subj":"572","obj":"MESH:C086979"},{"id":"A573","pred":"tao:has_database_id","subj":"573","obj":"MESH:D006886"},{"id":"A575","pred":"tao:has_database_id","subj":"575","obj":"MESH:C557213"},{"id":"A580","pred":"tao:has_database_id","subj":"580","obj":"MESH:D020003"},{"id":"A581","pred":"tao:has_database_id","subj":"581","obj":"MESH:D014867"}],"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":"Table 2. PASS analysis of WS phytoconstituents versus FDA-approved standard reference drugs (Losartan, Procainamide, Cinacalcet, Arbidol, Hydroxychloroquine, Oberadilol, Poziotinib).\nPhysicochemical properties\nS. No. Ligands Lipinski’s rule of 5 parameters\n% Absorption(\u003e50%)a Topological polar surface area (Å)2(TPSA)b(\u003c160 Å) MW (\u003c500) clog Pc(\u003c5) Hydrogen bond donors(NOHNH)(≤5) Hydrogen bond acceptors(NON)≤10) Number of rotatable bonds(≤10) Lipinski’s violation (LV)\n1. Withaferin A 75.76 96.36 470.61 2.49 2 6 3 0\n2. Withanolide A 75.76 96.36 470.61 2.56 2 6 2 0\n3. Withanolide B 82.74 76.13 454.61 3.42 1 5 2 0\n4. Withanolide D 75.76 96.36 470.61 2.56 2 6 2 0\n5. Withanolide E 68.78 116.59 486.61 1.77 3 7 2 0\n6. Withanone 75.76 96.36 470.61 2.60 2 6 2 0\n7. Viscosalactone B 68.78 116.59 488.62 1.92 3 7 3 0\n8. Anaferine 94.81 41.12 224.35 1.47 2 3 4 0\n9. Withasomnine 102.85 17.83 184.24 2.65 0 2 1 0\n10. Losartan 77.09 92.5 422.9 3.95 2 5 8 0\n11. Procainamide 88.85 58.4 235.33 0.93 2 3 6 0\n12. Cinacalcet 104.86 12 357.4 5.65 1 4 6 1\n13. Arbidol 81.4 80 477.4 4.17 1 5 8 0\n14. Hydroxychloroquine 92.31 48.38 335.88 3.08 2 4 9 0\n15. Oberadilol 67.95 119 484 2.80 4 7 10 0\n16. Poziotinib 82.57 76.6 491.3 5.29 1 7 6 1\nRule: aPercentage absorption was calculated as: % absorption = 109 – [0.345 × topological polar surface area].\nbTopological polar surface area (defined as a sum of surfaces of polar atoms in a molecule).\ncLogarithm of compound partition coefficient between n-octanol and water."}

{"project":"LitCovid-sentences","denotations":[{"id":"T270","span":{"begin":0,"end":8},"obj":"Sentence"},{"id":"T271","span":{"begin":10,"end":183},"obj":"Sentence"},{"id":"T272","span":{"begin":184,"end":210},"obj":"Sentence"},{"id":"T273","span":{"begin":211,"end":213},"obj":"Sentence"},{"id":"T274","span":{"begin":214,"end":217},"obj":"Sentence"},{"id":"T275","span":{"begin":219,"end":259},"obj":"Sentence"},{"id":"T276","span":{"begin":260,"end":481},"obj":"Sentence"},{"id":"T277","span":{"begin":482,"end":484},"obj":"Sentence"},{"id":"T278","span":{"begin":486,"end":538},"obj":"Sentence"},{"id":"T279","span":{"begin":539,"end":541},"obj":"Sentence"},{"id":"T280","span":{"begin":543,"end":596},"obj":"Sentence"},{"id":"T281","span":{"begin":597,"end":599},"obj":"Sentence"},{"id":"T282","span":{"begin":601,"end":654},"obj":"Sentence"},{"id":"T283","span":{"begin":655,"end":657},"obj":"Sentence"},{"id":"T284","span":{"begin":659,"end":712},"obj":"Sentence"},{"id":"T285","span":{"begin":713,"end":715},"obj":"Sentence"},{"id":"T286","span":{"begin":717,"end":771},"obj":"Sentence"},{"id":"T287","span":{"begin":772,"end":774},"obj":"Sentence"},{"id":"T288","span":{"begin":776,"end":825},"obj":"Sentence"},{"id":"T289","span":{"begin":826,"end":828},"obj":"Sentence"},{"id":"T290","span":{"begin":830,"end":887},"obj":"Sentence"},{"id":"T291","span":{"begin":888,"end":890},"obj":"Sentence"},{"id":"T292","span":{"begin":892,"end":941},"obj":"Sentence"},{"id":"T293","span":{"begin":942,"end":944},"obj":"Sentence"},{"id":"T294","span":{"begin":946,"end":999},"obj":"Sentence"},{"id":"T295","span":{"begin":1000,"end":1003},"obj":"Sentence"},{"id":"T296","span":{"begin":1005,"end":1051},"obj":"Sentence"},{"id":"T297","span":{"begin":1052,"end":1055},"obj":"Sentence"},{"id":"T298","span":{"begin":1057,"end":1108},"obj":"Sentence"},{"id":"T299","span":{"begin":1109,"end":1112},"obj":"Sentence"},{"id":"T300","span":{"begin":1114,"end":1161},"obj":"Sentence"},{"id":"T301","span":{"begin":1162,"end":1165},"obj":"Sentence"},{"id":"T302","span":{"begin":1167,"end":1209},"obj":"Sentence"},{"id":"T303","span":{"begin":1210,"end":1213},"obj":"Sentence"},{"id":"T304","span":{"begin":1215,"end":1273},"obj":"Sentence"},{"id":"T305","span":{"begin":1274,"end":1277},"obj":"Sentence"},{"id":"T306","span":{"begin":1279,"end":1325},"obj":"Sentence"},{"id":"T307","span":{"begin":1326,"end":1329},"obj":"Sentence"},{"id":"T308","span":{"begin":1331,"end":1379},"obj":"Sentence"},{"id":"T309","span":{"begin":1380,"end":1490},"obj":"Sentence"},{"id":"T310","span":{"begin":1491,"end":1583},"obj":"Sentence"},{"id":"T311","span":{"begin":1584,"end":1657},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Table 2. PASS analysis of WS phytoconstituents versus FDA-approved standard reference drugs (Losartan, Procainamide, Cinacalcet, Arbidol, Hydroxychloroquine, Oberadilol, Poziotinib).\nPhysicochemical properties\nS. No. Ligands Lipinski’s rule of 5 parameters\n% Absorption(\u003e50%)a Topological polar surface area (Å)2(TPSA)b(\u003c160 Å) MW (\u003c500) clog Pc(\u003c5) Hydrogen bond donors(NOHNH)(≤5) Hydrogen bond acceptors(NON)≤10) Number of rotatable bonds(≤10) Lipinski’s violation (LV)\n1. Withaferin A 75.76 96.36 470.61 2.49 2 6 3 0\n2. Withanolide A 75.76 96.36 470.61 2.56 2 6 2 0\n3. Withanolide B 82.74 76.13 454.61 3.42 1 5 2 0\n4. Withanolide D 75.76 96.36 470.61 2.56 2 6 2 0\n5. Withanolide E 68.78 116.59 486.61 1.77 3 7 2 0\n6. Withanone 75.76 96.36 470.61 2.60 2 6 2 0\n7. Viscosalactone B 68.78 116.59 488.62 1.92 3 7 3 0\n8. Anaferine 94.81 41.12 224.35 1.47 2 3 4 0\n9. Withasomnine 102.85 17.83 184.24 2.65 0 2 1 0\n10. Losartan 77.09 92.5 422.9 3.95 2 5 8 0\n11. Procainamide 88.85 58.4 235.33 0.93 2 3 6 0\n12. Cinacalcet 104.86 12 357.4 5.65 1 4 6 1\n13. Arbidol 81.4 80 477.4 4.17 1 5 8 0\n14. Hydroxychloroquine 92.31 48.38 335.88 3.08 2 4 9 0\n15. Oberadilol 67.95 119 484 2.80 4 7 10 0\n16. Poziotinib 82.57 76.6 491.3 5.29 1 7 6 1\nRule: aPercentage absorption was calculated as: % absorption = 109 – [0.345 × topological polar surface area].\nbTopological polar surface area (defined as a sum of surfaces of polar atoms in a molecule).\ncLogarithm of compound partition coefficient between n-octanol and water."}