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PMC:7755033 / 30404-34121 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
515 65-67 Species denotes WS Tax:126910
520 438-440 Species denotes WS Tax:126910
521 588-590 Species denotes WS Tax:126910
522 681-691 Chemical denotes cinacalcet MESH:D000069449
523 696-706 Chemical denotes poziotinib MESH:C557213
532 789-791 Species denotes WS Tax:126910
533 856-864 Chemical denotes Losartan
534 866-878 Chemical denotes Procainamide MESH:D011342
535 880-890 Chemical denotes Cinacalcet MESH:D000069449
536 892-899 Chemical denotes Arbidol MESH:C086979
537 901-919 Chemical denotes Hydroxychloroquine MESH:D006886
538 921-931 Chemical denotes Oberadilol
539 933-943 Chemical denotes Poziotinib MESH:C557213
558 1119-1127 Chemical denotes Hydrogen MESH:D006859
559 1152-1160 Chemical denotes Hydrogen MESH:D006859
560 1248-1260 Chemical denotes Withaferin A
561 1305-1316 Chemical denotes Withanolide MESH:D054358
562 1363-1374 Chemical denotes Withanolide MESH:D054358
563 1421-1432 Chemical denotes Withanolide MESH:D054358
564 1479-1490 Chemical denotes Withanolide MESH:D054358
565 1538-1547 Chemical denotes Withanone MESH:C560597
566 1592-1606 Chemical denotes Viscosalactone
567 1654-1663 Chemical denotes Anaferine
568 1708-1720 Chemical denotes Withasomnine MESH:C568582
569 1767-1775 Chemical denotes Losartan
570 1819-1831 Chemical denotes Procainamide MESH:D011342
571 1876-1886 Chemical denotes Cinacalcet MESH:D000069449
572 1929-1936 Chemical denotes Arbidol MESH:C086979
573 1977-1995 Chemical denotes Hydroxychloroquine MESH:D006886
574 2041-2051 Chemical denotes Oberadilol
575 2093-2103 Chemical denotes Poziotinib MESH:C557213
579 2346-2356 Chemical denotes cLogarithm
580 2399-2408 Chemical denotes n-octanol MESH:D020003
581 2413-2418 Chemical denotes water MESH:D014867
585 2420-2422 Species denotes WS Tax:126910
586 2697-2707 Chemical denotes cinacalcet MESH:D000069449
587 2789-2799 Chemical denotes poziotinib MESH:C557213
596 2873-2875 Species denotes WS Tax:126910
597 2940-2948 Chemical denotes Losartan
598 2950-2962 Chemical denotes Procainamide MESH:D011342
599 2964-2974 Chemical denotes Cinacalcet MESH:D000069449
600 2976-2983 Chemical denotes Arbidol MESH:C086979
601 2985-3003 Chemical denotes Hydroxychloroquine MESH:D006886
602 3005-3015 Chemical denotes Oberadilol
603 3017-3027 Chemical denotes Poziotinib MESH:C557213
620 3047-3050 Chemical denotes GNo
621 3123-3138 Chemical denotes Withaferin A 1
622 3155-3168 Chemical denotes Withanolide A
623 3221-3232 Chemical denotes Withanolide MESH:D054358
624 3254-3265 Chemical denotes Withanolide MESH:D054358
625 3287-3296 Chemical denotes Withanone MESH:C560597
626 3316-3332 Chemical denotes Viscosalactone B
627 3352-3361 Chemical denotes Anaferine
628 3381-3393 Chemical denotes Withasomnine MESH:C568582
629 3414-3422 Chemical denotes Losartan
630 3443-3455 Chemical denotes Procainamide MESH:D011342
631 3476-3486 Chemical denotes Cinacalcet MESH:D000069449
632 3507-3514 Chemical denotes Arbidol MESH:C086979
633 3535-3553 Chemical denotes Hydroxychloroquine MESH:D006886
634 3574-3584 Chemical denotes Oberadilol
635 3605-3615 Chemical denotes Poziotinib MESH:C557213

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T264 0-4 Sentence denotes 3.1.
T265 6-172 Sentence denotes Virtual screening of prospective antiviral candidates from WS phytoconstituents on the basis of physicochemical parameters and Lipinski’s rule of five (PASS analysis)
T266 173-403 Sentence denotes In the drug discovery context, it is generally believed that an orally active drug candidate cannot have more than one violation of Lipinski’s criteria otherwise it might compromise its bioavailability (Balakrishnan et al., 2014).
T267 404-538 Sentence denotes Based on Lipinski's rule of five, WS phytoconstituents were previously screened and selected for their drug like properties (Table 2).
T268 539-640 Sentence denotes As is evident from Table 2, none of the selected WS phytoconstituents exhibited Lipinski’s violation.
T269 641-761 Sentence denotes Interestingly, standard reference drugs cinacalcet and poziotinib displayed 1 violation each of Lipinski’s rule of five.
T270 762-770 Sentence denotes Table 2.
T271 772-945 Sentence denotes PASS analysis of WS phytoconstituents versus FDA-approved standard reference drugs (Losartan, Procainamide, Cinacalcet, Arbidol, Hydroxychloroquine, Oberadilol, Poziotinib).
T272 946-972 Sentence denotes Physicochemical properties
T273 973-975 Sentence denotes S.
T274 976-979 Sentence denotes No.
T275 981-1021 Sentence denotes Ligands Lipinski’s rule of 5 parameters
T276 1022-1243 Sentence denotes % Absorption(>50%)a Topological polar surface area (Å)2(TPSA)b(<160 Å) MW (<500) clog Pc(<5) Hydrogen bond donors(NOHNH)(≤5) Hydrogen bond acceptors(NON)≤10) Number of rotatable bonds(≤10) Lipinski’s violation (LV)
T277 1244-1246 Sentence denotes 1.
T278 1248-1300 Sentence denotes Withaferin A 75.76 96.36 470.61 2.49 2 6 3 0
T279 1301-1303 Sentence denotes 2.
T280 1305-1358 Sentence denotes Withanolide A 75.76 96.36 470.61 2.56 2 6 2 0
T281 1359-1361 Sentence denotes 3.
T282 1363-1416 Sentence denotes Withanolide B 82.74 76.13 454.61 3.42 1 5 2 0
T283 1417-1419 Sentence denotes 4.
T284 1421-1474 Sentence denotes Withanolide D 75.76 96.36 470.61 2.56 2 6 2 0
T285 1475-1477 Sentence denotes 5.
T286 1479-1533 Sentence denotes Withanolide E 68.78 116.59 486.61 1.77 3 7 2 0
T287 1534-1536 Sentence denotes 6.
T288 1538-1587 Sentence denotes Withanone 75.76 96.36 470.61 2.60 2 6 2 0
T289 1588-1590 Sentence denotes 7.
T290 1592-1649 Sentence denotes Viscosalactone B 68.78 116.59 488.62 1.92 3 7 3 0
T291 1650-1652 Sentence denotes 8.
T292 1654-1703 Sentence denotes Anaferine 94.81 41.12 224.35 1.47 2 3 4 0
T293 1704-1706 Sentence denotes 9.
T294 1708-1761 Sentence denotes Withasomnine 102.85 17.83 184.24 2.65 0 2 1 0
T295 1762-1765 Sentence denotes 10.
T296 1767-1813 Sentence denotes Losartan 77.09 92.5 422.9 3.95 2 5 8 0
T297 1814-1817 Sentence denotes 11.
T298 1819-1870 Sentence denotes Procainamide 88.85 58.4 235.33 0.93 2 3 6 0
T299 1871-1874 Sentence denotes 12.
T300 1876-1923 Sentence denotes Cinacalcet 104.86 12 357.4 5.65 1 4 6 1
T301 1924-1927 Sentence denotes 13.
T302 1929-1971 Sentence denotes Arbidol 81.4 80 477.4 4.17 1 5 8 0
T303 1972-1975 Sentence denotes 14.
T304 1977-2035 Sentence denotes Hydroxychloroquine 92.31 48.38 335.88 3.08 2 4 9 0
T305 2036-2039 Sentence denotes 15.
T306 2041-2087 Sentence denotes Oberadilol 67.95 119 484 2.80 4 7 10 0
T307 2088-2091 Sentence denotes 16.
T308 2093-2141 Sentence denotes Poziotinib 82.57 76.6 491.3 5.29 1 7 6 1
T309 2142-2252 Sentence denotes Rule: aPercentage absorption was calculated as: % absorption = 109 – [0.345 × topological polar surface area].
T310 2253-2345 Sentence denotes bTopological polar surface area (defined as a sum of surfaces of polar atoms in a molecule).
T311 2346-2419 Sentence denotes cLogarithm of compound partition coefficient between n-octanol and water.
T312 2420-2492 Sentence denotes WS phytoconstituents were further analyzed using additional filters viz.
T313 2493-2555 Sentence denotes Ghose, Veber, Egan, Muegge and Leadlikeness filters (Table 3).
T314 2556-2687 Sentence denotes The selected phytoconstituents showed no violations of Veber, Egan and Muegge filters thereby indicating their drug-like character.
T315 2688-2839 Sentence denotes The drug cinacalcet showed 1 and 2 violations of Egan and Muegge filters, respectively, whereas drug poziotinib exhibited 1 violation of Muegge filter.
T316 2840-2848 Sentence denotes Table 3.
T317 2850-3029 Sentence denotes Drug-like character of WS phytoconstituents versus FDA-approved standard reference drugs (Losartan, Procainamide, Cinacalcet, Arbidol, Hydroxychloroquine, Oberadilol, Poziotinib).
T318 3030-3032 Sentence denotes S.
T319 3033-3036 Sentence denotes No.
T320 3038-3118 Sentence denotes Ligands GNo. of vio.a VNo. of vio.b ENo. of vio.c MNo. ofvio.d Leadlikeness
T321 3119-3121 Sentence denotes 1.
T322 3123-3150 Sentence denotes Withaferin A 1 0 0 0 2
T323 3151-3153 Sentence denotes 2.
T324 3155-3183 Sentence denotes Withanolide A 1 0 0 0 1
T325 3184-3186 Sentence denotes 3.
T326 3188-3216 Sentence denotes Withanolide B 1 0 0 0 2
T327 3217-3219 Sentence denotes 4.
T328 3221-3249 Sentence denotes Withanolide D 1 0 0 0 1
T329 3250-3252 Sentence denotes 5.
T330 3254-3282 Sentence denotes Withanolide E 2 0 0 0 1
T331 3283-3285 Sentence denotes 6.
T332 3287-3311 Sentence denotes Withanone 1 0 0 0 1
T333 3312-3314 Sentence denotes 7.
T334 3316-3347 Sentence denotes Viscosalactone B 1 0 0 0 1
T335 3348-3350 Sentence denotes 8.
T336 3352-3376 Sentence denotes Anaferine 0 0 0 0 1
T337 3377-3379 Sentence denotes 9.
T338 3381-3408 Sentence denotes Withasomnine 0 0 0 0 1
T339 3409-3412 Sentence denotes 10.
T340 3414-3437 Sentence denotes Losartan 0 0 0 0 3
T341 3438-3441 Sentence denotes 11.
T342 3443-3470 Sentence denotes Procainamide 0 0 0 0 1
T343 3471-3474 Sentence denotes 12.
T344 3476-3501 Sentence denotes Cinacalcet 1 0 1 2 2
T345 3502-3505 Sentence denotes 13.
T346 3507-3529 Sentence denotes Arbidol 0 0 0 0 3
T347 3530-3533 Sentence denotes 14.
T348 3535-3568 Sentence denotes Hydroxychloroquine 0 0 0 0 2
T349 3569-3572 Sentence denotes 15.
T350 3574-3599 Sentence denotes Oberadilol 2 0 0 0 2
T351 3600-3603 Sentence denotes 16.
T352 3605-3630 Sentence denotes Poziotinib 2 0 0 1 2
T353 3631-3651 Sentence denotes Rule: aGhose filter.
T354 3652-3666 Sentence denotes bVeber filter.
T355 3667-3693 Sentence denotes cEgan (Pharmacial) filter.
T356 3694-3717 Sentence denotes dMuegge (Bayer) filter.