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PMC:7755033 / 76565-82344 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
1145 3320-3327 Chemical denotes arbidol MESH:C086979
1147 3982-3992 Chemical denotes Withaferin
1219 242-244 Species denotes WS Tax:126910
1221 635-637 Species denotes WS Tax:126910
1228 746-748 Species denotes WS Tax:126910
1229 786-799 Chemical denotes withanolide E
1230 801-810 Chemical denotes anaferine
1231 815-827 Chemical denotes withasomnine MESH:C568582
1232 945-957 Chemical denotes procainamide MESH:D011342
1233 962-969 Chemical denotes arbidol MESH:C086979
1235 1028-1032 Disease denotes ICMs
1245 1037-1039 Species denotes WS Tax:126910
1246 1085-1097 Chemical denotes withasomnine MESH:C568582
1247 1164-1172 Chemical denotes losartan MESH:D019808
1248 1174-1184 Chemical denotes cinacalcet MESH:D000069449
1249 1186-1204 Chemical denotes hydroxychloroquine MESH:D006886
1250 1206-1216 Chemical denotes oberadilol
1251 1221-1231 Chemical denotes poziotinib MESH:C557213
1252 1268-1280 Chemical denotes procainamide MESH:D011342
1253 1285-1292 Chemical denotes arbidol MESH:C086979
1263 1349-1351 Species denotes WS Tax:126910
1264 1405-1417 Chemical denotes withasomnine MESH:C568582
1265 1480-1488 Chemical denotes losartan MESH:D019808
1266 1490-1508 Chemical denotes hydroxychloroquine MESH:D006886
1267 1513-1523 Chemical denotes poziotinib MESH:C557213
1268 1556-1568 Chemical denotes procainamide MESH:D011342
1269 1570-1580 Chemical denotes cinacalcet MESH:D000069449
1270 1582-1589 Chemical denotes arbidol MESH:C086979
1271 1594-1604 Chemical denotes oberadilol
1279 1658-1670 Chemical denotes Withaferin A
1280 1672-1684 Chemical denotes withanolides MESH:D054358
1281 1686-1698 Chemical denotes , B, D and E
1282 1700-1709 Chemical denotes withanone MESH:C560597
1283 1714-1728 Chemical denotes viscosalactone
1284 1772-1781 Chemical denotes anaferine
1285 1786-1798 Chemical denotes withasomnine MESH:C568582
1309 2400-2405 Gene denotes Nsp10 Gene:43740578
1310 2406-2409 Gene denotes Nsp Gene:43740578
1311 2422-2425 Gene denotes PDB Gene:5131
1312 2371-2374 Gene denotes PDB Gene:5131
1313 2324-2327 Gene denotes PDB Gene:5131
1314 2312-2322 Species denotes SARS-CoV-2 Tax:2697049
1315 2339-2347 Species denotes SARS-CoV Tax:694009
1316 2389-2399 Species denotes SARS-CoV-2 Tax:2697049
1317 1932-1944 Chemical denotes Withaferin A
1318 1946-1958 Chemical denotes withanolides MESH:D054358
1319 1974-1983 Chemical denotes withanone MESH:C560597
1320 1988-2002 Chemical denotes viscosalactone
1321 2099-2108 Chemical denotes anaferine
1322 2113-2125 Chemical denotes withasomnine MESH:C568582
1323 2207-2219 Chemical denotes withanolides MESH:D054358
1324 2249-2262 Chemical denotes withanolide A
1325 2522-2530 Chemical denotes losartan MESH:D019808
1326 2532-2542 Chemical denotes cinacalcet MESH:D000069449
1327 2547-2565 Chemical denotes hydroxychloroquine MESH:D006886
1328 2628-2640 Chemical denotes procainamide MESH:D011342
1329 2642-2649 Chemical denotes arbidol MESH:C086979
1330 2651-2661 Chemical denotes oberadilol
1331 2666-2676 Chemical denotes poziotinib MESH:C557213
1364 2758-2760 Species denotes WS Tax:126910
1366 2789-2801 Chemical denotes Withaferin A
1367 2803-2829 Chemical denotes withanolides A, B, D and E
1368 2831-2840 Chemical denotes withanone MESH:C560597
1369 3134-3150 Chemical denotes viscosalactone B
1370 3155-3164 Chemical denotes anaferine
1371 3680-3704 Chemical denotes procainamide and arbidol MESH:C568582
1394 3850-3852 Species denotes WS Tax:126910
1396 3996-4007 Chemical denotes withanolide MESH:D054358
1398 4032-4044 Chemical denotes withasomnine MESH:C568582
1399 4209-4221 Chemical denotes procainamide MESH:D011342
1400 4223-4241 Chemical denotes hydroxychloroquine MESH:D006886
1401 4246-4256 Chemical denotes oberadilol
1410 4362-4364 Species denotes WS Tax:126910
1411 4429-4437 Chemical denotes Losartan
1412 4439-4451 Chemical denotes Procainamide MESH:D011342
1413 4453-4463 Chemical denotes Cinacalcet MESH:D000069449
1414 4465-4472 Chemical denotes Arbidol MESH:C086979
1415 4474-4492 Chemical denotes Hydroxychloroquine MESH:D006886
1416 4494-4504 Chemical denotes Oberadilol
1417 4506-4516 Chemical denotes Poziotinib MESH:C557213
1434 4743-4755 Chemical denotes Withaferin A
1435 4800-4811 Chemical denotes Withanolide MESH:D054358
1436 4858-4869 Chemical denotes Withanolide MESH:D054358
1437 4916-4927 Chemical denotes Withanolide MESH:D054358
1438 4974-4985 Chemical denotes Withanolide MESH:D054358
1439 5033-5042 Chemical denotes Withanone MESH:C560597
1440 5087-5101 Chemical denotes Viscosalactone
1441 5148-5157 Chemical denotes Anaferine
1442 5205-5217 Chemical denotes Withasomnine MESH:C568582
1443 5267-5275 Chemical denotes Losartan
1444 5320-5332 Chemical denotes Procainamide MESH:D011342
1445 5382-5392 Chemical denotes Cinacalcet MESH:D000069449
1446 5439-5446 Chemical denotes Arbidol MESH:C086979
1447 5497-5515 Chemical denotes Hydroxychloroquine MESH:D006886
1448 5561-5571 Chemical denotes Oberadilol
1449 5620-5630 Chemical denotes Poziotinib MESH:C557213

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T753 0-4 Sentence denotes 3.5.
T754 6-55 Sentence denotes Druglikeness and Bioactivity score (BAS) analysis
T755 56-230 Sentence denotes Biological targets of prospective drug candidates can be classified into ion channels, proteases, kinases, G-protein coupled receptors (GPCRs), nuclear receptors and enzymes.
T756 231-343 Sentence denotes The BAS of WS phytoconstituents was determined using web-based software Molinspiration (www.molinspiration.com).
T757 344-588 Sentence denotes As a general rule, it is known that if the BAS > 0.0, then the drug candidate is physiologically active; if it is in the range −5.0 to 0.0; then the drug candidate is moderately active, and if the BAS< −5.0, then the drug candidate is inactive.
T758 589-716 Sentence denotes It is evident from Table 13, that most of the WS phytoconstituents had positive values with respect to the following receptors.
T759 718-724 Sentence denotes 3.5.1.
T760 726-741 Sentence denotes As GPCR ligands
T761 742-875 Sentence denotes All WS phytoconstituents were active except withanolide E, anaferine and withasomnine which were predicted to be moderatively active.
T762 876-1015 Sentence denotes Most of the reference drugs also had positive values for GPCR except procainamide and arbidol which were predicted to be moderately active.
T763 1017-1023 Sentence denotes 3.5.2.
T764 1025-1032 Sentence denotes As ICMs
T765 1033-1138 Sentence denotes All WS phytoconstituents had positive values except withasomnine which was found to be moderately active.
T766 1139-1328 Sentence denotes Standard reference drugs losartan, cinacalcet, hydroxychloroquine, oberadilol and poziotinib were all found to be active whereas procainamide and arbidol were found to be moderately active.
T767 1330-1336 Sentence denotes 3.5.3.
T768 1338-1344 Sentence denotes As KIs
T769 1345-1454 Sentence denotes All WS phytoconstituents displayed moderate activity except withasomnine that displayed significant activity.
T770 1455-1640 Sentence denotes Standard reference drugs losartan, hydroxychloroquine and poziotinib were found to be active whereas procainamide, cinacalcet, arbidol and oberadilol were found to be moderately active.
T771 1642-1648 Sentence denotes 3.5.4.
T772 1650-1657 Sentence denotes As NRLs
T773 1658-1834 Sentence denotes Withaferin A, withanolides A, B, D and E, withanone and viscosalactone B possessed significant BAS scores whereas anaferine and withasomnine were found to be moderately active.
T774 1835-1915 Sentence denotes All standard reference drugs were predicted to have moderate BAS scores as NRLs.
T775 1917-1923 Sentence denotes 3.5.5.
T776 1925-1931 Sentence denotes As PIs
T777 1932-2079 Sentence denotes Withaferin A, withanolides A, B, D and E, withanone and viscosalactone B had positive BAS scores indicating their potential as protease inhibitors.
T778 2080-2186 Sentence denotes On the other hand, anaferine and withasomnine were found to have moderate activity as protease inhibitors.
T779 2187-2331 Sentence denotes Interestingly, most withanolides especially withanolide B and withanolide A showed potent binding to papain like protease of SARS-CoV-2 (PDB ID:
T780 2332-2429 Sentence denotes 6W9C), SARS-CoV 3CL-pro main protease (PDB ID: IP9U) and SARS-CoV-2 Nsp10/Nsp-16 complex (PDB ID:
T781 2430-2502 Sentence denotes 6W75) thus supporting their role as potential viral protease inhibitors.
T782 2503-2729 Sentence denotes On the other hand, losartan, cinacalcet and hydroxychloroquine also displayed positive values as protease inhibitors whereas procainamide, arbidol, oberadilol and poziotinib displayed moderate potential as protease inhibitors.
T783 2731-2737 Sentence denotes 3.5.6.
T784 2739-2745 Sentence denotes As EIs
T785 2746-2995 Sentence denotes Most of the WS phytoconstituents including Withaferin A, withanolides A, B, D and E, withanone, viscosalactone B and anaferine had positive BAS scores indicating their potential as enzyme inhibitors whereas withasomnine displayed moderate potential.
T786 2996-3351 Sentence denotes This observation was further validated by the fact that most of the phytoconstituents including Withaferin A, withanolides A, B, D and E, viscosalactone B and anaferine showed potent binding to human ACE2 receptor in the nanomolar range which was about 1000× times greater than the binding of known standard reference drugs arbidol and losartan (Table 4).
T787 3352-3545 Sentence denotes This finding lends support for targeted use of withanolides from WS as SARS-CoV-2 entry blocking agents by virtue of their preferential binding to human ACE2, thereby blocking or inhibiting it.
T788 3546-3734 Sentence denotes Losartan, cinacalcet, hydroxychloroquine, oberadilol and poziotinib also displayed significant potential as enzyme inhibitors whereas procainamide and arbidol displayed moderate potential.
T789 3735-3845 Sentence denotes Druglikeness of a compound can be predicted by comparing its structural features with those of marketed drugs.
T790 3846-3981 Sentence denotes All WS phytoconstituents showed molar lipophilicity (cLog P) <5 thereby indicating good permeability across cell membranes (Figure 2A).
T791 3982-4171 Sentence denotes Withaferin A, withanolide D, viscosalactone B and withasomnine had positive values of druglikeness which indicated that these compounds contain fragments that are present in marketed drugs.
T792 4172-4311 Sentence denotes Out of the standard reference drugs, procainamide, hydroxychloroquine and oberadilol exhibited positive scores for druglikeness (Table 14).
T793 4312-4321 Sentence denotes Table 13.
T794 4323-4518 Sentence denotes Bioactivity scores and Druglikeness of WS phytoconstituents versus FDA-approved standard reference drugs (Losartan, Procainamide, Cinacalcet, Arbidol, Hydroxychloroquine, Oberadilol, Poziotinib).
T795 4519-4521 Sentence denotes S.
T796 4522-4525 Sentence denotes No.
T797 4527-4567 Sentence denotes Ligands Parameters of bioactivity score
T798 4568-4712 Sentence denotes GPCR ligand Ion channel modulator (ICM) Kinase inhibitor (KI) Nuclear receptor ligand (NRL) Protease inhibitor (PI) Enzymeinhibitor (EI)  
T799 4713-4738 Sentence denotes                  
T800 4739-4741 Sentence denotes 1.
T801 4743-4795 Sentence denotes Withaferin A 0.07 0.14 –0.49 0.76 0.15 0.94  
T802 4796-4798 Sentence denotes 2.
T803 4800-4853 Sentence denotes Withanolide A 0.04 0.32 –0.43 0.71 0.15 0.86  
T804 4854-4856 Sentence denotes 3.
T805 4858-4911 Sentence denotes Withanolide B 0.07 0.24 –0.47 0.79 0.15 0.76  
T806 4912-4914 Sentence denotes 4.
T807 4916-4969 Sentence denotes Withanolide D 0.05 0.30 –0.50 0.73 0.16 1.07  
T808 4970-4972 Sentence denotes 5.
T809 4974-5028 Sentence denotes Withanolide E –0.70 0.16 –0.50 0.61 0.06 0.89  
T810 5029-5031 Sentence denotes 6.
T811 5033-5082 Sentence denotes Withanone 0.00 0.27 –0.38 0.71 0.12 0.78  
T812 5083-5085 Sentence denotes 7.
T813 5087-5143 Sentence denotes Viscosalactone B 0.03 0.04 –0.51 0.78 0.19 0.84  
T814 5144-5146 Sentence denotes 8.
T815 5148-5200 Sentence denotes Anaferine –0.08 0.17 –0.60 –0.58 –0.14 0.08  
T816 5201-5203 Sentence denotes 9.
T817 5205-5261 Sentence denotes Withasomnine –0.49 –0.43 0.58 –0.10 –0.58 –0.17  
T818 5262-5265 Sentence denotes 10.
T819 5267-5314 Sentence denotes Losartan 1.06 0.16 0.03 0.01 0.33 0.44  
T820 5315-5318 Sentence denotes 11.
T821 5320-5376 Sentence denotes Procainamide –0.09 0.01 –0.10 –0.70 –0.20 –0.04  
T822 5377-5380 Sentence denotes 12.
T823 5382-5433 Sentence denotes Cinacalcet 0.22 0.15 –0.0.8 0.00 0.17 0.02  
T824 5434-5437 Sentence denotes 13.
T825 5439-5491 Sentence denotes Arbidol –0.19 –0.44 –0.39 –0.34 –0.46 –0.07  
T826 5492-5495 Sentence denotes 14.
T827 5497-5555 Sentence denotes Hydroxychloroquine 0.35 0.30 0.44 –0.12 0.12 0.15  
T828 5556-5559 Sentence denotes 15.
T829 5561-5614 Sentence denotes Oberadilol 0.04 –0.47 –0.43 –0.37 –0.02 0.02  
T830 5615-5618 Sentence denotes 16.
T831 5620-5672 Sentence denotes Poziotinib 0.04 –0.17 0.53 –0.35 –0.27 0.01  
T832 5673-5686 Sentence denotes Rule: BAS >0:
T833 5687-5694 Sentence denotes Active;
T834 5695-5708 Sentence denotes BAS –5.0–0.0:
T835 5709-5759 Sentence denotes Moderately active, moderately active and inactive.
T836 5760-5769 Sentence denotes BAS ≤5.0:
T837 5770-5779 Sentence denotes Inactive;