PMC:7784829 / 20277-21807 JSONTXT

{"project":"LitCovid-sentences","denotations":[{"id":"T206","span":{"begin":0,"end":8},"obj":"Sentence"},{"id":"T207","span":{"begin":10,"end":76},"obj":"Sentence"},{"id":"T208","span":{"begin":77,"end":139},"obj":"Sentence"},{"id":"T209","span":{"begin":140,"end":177},"obj":"Sentence"},{"id":"T210","span":{"begin":178,"end":216},"obj":"Sentence"},{"id":"T211","span":{"begin":217,"end":255},"obj":"Sentence"},{"id":"T212","span":{"begin":256,"end":292},"obj":"Sentence"},{"id":"T213","span":{"begin":293,"end":329},"obj":"Sentence"},{"id":"T214","span":{"begin":330,"end":366},"obj":"Sentence"},{"id":"T215","span":{"begin":367,"end":402},"obj":"Sentence"},{"id":"T216","span":{"begin":403,"end":439},"obj":"Sentence"},{"id":"T217","span":{"begin":440,"end":476},"obj":"Sentence"},{"id":"T218","span":{"begin":477,"end":512},"obj":"Sentence"},{"id":"T219","span":{"begin":513,"end":549},"obj":"Sentence"},{"id":"T220","span":{"begin":550,"end":586},"obj":"Sentence"},{"id":"T221","span":{"begin":587,"end":624},"obj":"Sentence"},{"id":"T222","span":{"begin":625,"end":662},"obj":"Sentence"},{"id":"T223","span":{"begin":663,"end":700},"obj":"Sentence"},{"id":"T224","span":{"begin":701,"end":738},"obj":"Sentence"},{"id":"T225","span":{"begin":739,"end":776},"obj":"Sentence"},{"id":"T226","span":{"begin":777,"end":814},"obj":"Sentence"},{"id":"T227","span":{"begin":815,"end":853},"obj":"Sentence"},{"id":"T228","span":{"begin":854,"end":892},"obj":"Sentence"},{"id":"T229","span":{"begin":893,"end":931},"obj":"Sentence"},{"id":"T230","span":{"begin":932,"end":971},"obj":"Sentence"},{"id":"T231","span":{"begin":972,"end":1011},"obj":"Sentence"},{"id":"T232","span":{"begin":1012,"end":1051},"obj":"Sentence"},{"id":"T233","span":{"begin":1052,"end":1267},"obj":"Sentence"},{"id":"T234","span":{"begin":1268,"end":1273},"obj":"Sentence"},{"id":"T235","span":{"begin":1274,"end":1328},"obj":"Sentence"},{"id":"T236","span":{"begin":1329,"end":1371},"obj":"Sentence"},{"id":"T237","span":{"begin":1372,"end":1400},"obj":"Sentence"},{"id":"T238","span":{"begin":1401,"end":1425},"obj":"Sentence"},{"id":"T239","span":{"begin":1426,"end":1453},"obj":"Sentence"},{"id":"T240","span":{"begin":1454,"end":1478},"obj":"Sentence"},{"id":"T241","span":{"begin":1479,"end":1505},"obj":"Sentence"},{"id":"T242","span":{"begin":1506,"end":1530},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Table 4. In-silico prediction of drug-likeness for curcumin derivatives[a].\nCompound MW LogP SA HBA HBD nviolations Rotatable bonds\nBHBC 534.78 8.93 236.0 4 3 1 6\nMNC 538.59 6.14 232.11 7 2 1 11\nBDMC 308.33 3.83 133.51 4 3   5\n1 270.353 4.21 115.89 3 1   4\n2 332.739 3.79 136.57 5 4   4\n3 314.337 3.77 133.64 5 4   4\n4 322.36 4.36 139.56 3 3   4\n5 364.441 4.93 159.62 4 0   5\n6 320.388 4.95 141.45 4 3   1\n7 325.32 3.60 138.02 5 1   6\n8 329.193 4.45 125.75 2 1   4\n9 462.181 5.24 164.71 7 2   0\n10 351.358 4.13 149.74 4 5   1\n11 360.375 5.07 149.89 2 1   3\n12 419.565 6.24 185.40 9 4   1\n13 389.495 5.22 171.67 4 4   1\n14 342.778 3.81 143.82 4 2   2\n15 469.629 4.38 208.20 6 5   1\n16 486.564 6.19 211.58 11 6 1 0\nDMC 342.391 3.20 146.43 5 2   9\nFAC 550.604 4.7 232.81 9 2   15\nIBC 556.655 5.24 240.62 7 1   15\nIVC 504.535 4.69 214.22 8 3   11\nSYC 430.453 3.77 180.12 10 8 1 3\n[a]  MW = Molecular weight, LogP = octanol-water partition coefficient, SA = Surface Area, HBA = Number of hydrogen bond acceptor, HBD = Number of hydrogen bond donor, nviolations = violations from Lipinski’s rule. BHBC: 3-5-di-tert-butyl-4-hydroxybenzaldehyde curcumin, MNC: 4-methoxy-1-naphthaldehyde curcumin, BDMC: Bis-demethoxy curcumin, DMC: Demethoxy curcumin, FAC: Ferulic-acid curcumin, IBC: Ibuprofen curcumin, IVC: Isovanillin curcumin, SYC: Syringaldehyde curcumin."}

{"project":"LitCovid-PubTator","denotations":[{"id":"553","span":{"begin":52,"end":60},"obj":"Chemical"},{"id":"557","span":{"begin":140,"end":144},"obj":"Chemical"},{"id":"558","span":{"begin":217,"end":221},"obj":"Chemical"},{"id":"559","span":{"begin":106,"end":109},"obj":"Disease"},{"id":"581","span":{"begin":1088,"end":1095},"obj":"Chemical"},{"id":"582","span":{"begin":1096,"end":1101},"obj":"Chemical"},{"id":"583","span":{"begin":1160,"end":1168},"obj":"Chemical"},{"id":"584","span":{"begin":1200,"end":1208},"obj":"Chemical"},{"id":"585","span":{"begin":1268,"end":1272},"obj":"Chemical"},{"id":"586","span":{"begin":1274,"end":1313},"obj":"Chemical"},{"id":"587","span":{"begin":1314,"end":1322},"obj":"Chemical"},{"id":"588","span":{"begin":1324,"end":1327},"obj":"Chemical"},{"id":"589","span":{"begin":1329,"end":1355},"obj":"Chemical"},{"id":"590","span":{"begin":1356,"end":1364},"obj":"Chemical"},{"id":"591","span":{"begin":1366,"end":1370},"obj":"Chemical"},{"id":"592","span":{"begin":1372,"end":1394},"obj":"Chemical"},{"id":"593","span":{"begin":1401,"end":1419},"obj":"Chemical"},{"id":"594","span":{"begin":1426,"end":1438},"obj":"Chemical"},{"id":"595","span":{"begin":1439,"end":1447},"obj":"Chemical"},{"id":"596","span":{"begin":1449,"end":1452},"obj":"Chemical"},{"id":"597","span":{"begin":1454,"end":1472},"obj":"Chemical"},{"id":"598","span":{"begin":1479,"end":1499},"obj":"Chemical"},{"id":"599","span":{"begin":1506,"end":1520},"obj":"Chemical"},{"id":"600","span":{"begin":1521,"end":1529},"obj":"Chemical"},{"id":"601","span":{"begin":1184,"end":1187},"obj":"Disease"}],"attributes":[{"id":"A553","pred":"tao:has_database_id","subj":"553","obj":"MESH:D003474"},{"id":"A559","pred":"tao:has_database_id","subj":"559","obj":"MESH:C564145"},{"id":"A581","pred":"tao:has_database_id","subj":"581","obj":"MESH:D000442"},{"id":"A582","pred":"tao:has_database_id","subj":"582","obj":"MESH:D014867"},{"id":"A583","pred":"tao:has_database_id","subj":"583","obj":"MESH:D006859"},{"id":"A584","pred":"tao:has_database_id","subj":"584","obj":"MESH:D006859"},{"id":"A586","pred":"tao:has_database_id","subj":"586","obj":"MESH:C513957"},{"id":"A587","pred":"tao:has_database_id","subj":"587","obj":"MESH:D003474"},{"id":"A590","pred":"tao:has_database_id","subj":"590","obj":"MESH:D003474"},{"id":"A592","pred":"tao:has_database_id","subj":"592","obj":"MESH:C034786"},{"id":"A593","pred":"tao:has_database_id","subj":"593","obj":"MESH:C050229"},{"id":"A594","pred":"tao:has_database_id","subj":"594","obj":"MESH:C004999"},{"id":"A595","pred":"tao:has_database_id","subj":"595","obj":"MESH:D003474"},{"id":"A596","pred":"tao:has_database_id","subj":"596","obj":"MESH:D002015"},{"id":"A599","pred":"tao:has_database_id","subj":"599","obj":"MESH:C069665"},{"id":"A600","pred":"tao:has_database_id","subj":"600","obj":"MESH:D003474"},{"id":"A601","pred":"tao:has_database_id","subj":"601","obj":"MESH:C564145"}],"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 4. In-silico prediction of drug-likeness for curcumin derivatives[a].\nCompound MW LogP SA HBA HBD nviolations Rotatable bonds\nBHBC 534.78 8.93 236.0 4 3 1 6\nMNC 538.59 6.14 232.11 7 2 1 11\nBDMC 308.33 3.83 133.51 4 3   5\n1 270.353 4.21 115.89 3 1   4\n2 332.739 3.79 136.57 5 4   4\n3 314.337 3.77 133.64 5 4   4\n4 322.36 4.36 139.56 3 3   4\n5 364.441 4.93 159.62 4 0   5\n6 320.388 4.95 141.45 4 3   1\n7 325.32 3.60 138.02 5 1   6\n8 329.193 4.45 125.75 2 1   4\n9 462.181 5.24 164.71 7 2   0\n10 351.358 4.13 149.74 4 5   1\n11 360.375 5.07 149.89 2 1   3\n12 419.565 6.24 185.40 9 4   1\n13 389.495 5.22 171.67 4 4   1\n14 342.778 3.81 143.82 4 2   2\n15 469.629 4.38 208.20 6 5   1\n16 486.564 6.19 211.58 11 6 1 0\nDMC 342.391 3.20 146.43 5 2   9\nFAC 550.604 4.7 232.81 9 2   15\nIBC 556.655 5.24 240.62 7 1   15\nIVC 504.535 4.69 214.22 8 3   11\nSYC 430.453 3.77 180.12 10 8 1 3\n[a]  MW = Molecular weight, LogP = octanol-water partition coefficient, SA = Surface Area, HBA = Number of hydrogen bond acceptor, HBD = Number of hydrogen bond donor, nviolations = violations from Lipinski’s rule. BHBC: 3-5-di-tert-butyl-4-hydroxybenzaldehyde curcumin, MNC: 4-methoxy-1-naphthaldehyde curcumin, BDMC: Bis-demethoxy curcumin, DMC: Demethoxy curcumin, FAC: Ferulic-acid curcumin, IBC: Ibuprofen curcumin, IVC: Isovanillin curcumin, SYC: Syringaldehyde curcumin."}