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PMC:7796052 / 13097-15331 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
356 1220-1230 Gene denotes bradykinin Gene:3827
357 1514-1524 Gene denotes bradykinin Gene:3827
358 1404-1406 Gene denotes BK Gene:3827
359 1370-1372 Gene denotes BK Gene:3827
360 1179-1181 Gene denotes BK Gene:3827
361 985-990 Species denotes human Tax:9606
362 914-924 Chemical denotes Raloxifene MESH:D020849
363 1165-1167 Chemical denotes 3H MESH:D014316
364 1216-1218 Chemical denotes 3H MESH:D014316
365 1364-1368 Chemical denotes Leu8
366 1438-1448 Chemical denotes raloxifene MESH:D020849
367 1510-1512 Chemical denotes 3H MESH:D014316
368 1565-1575 Chemical denotes raloxifene MESH:D020849
369 1061-1064 CellLine denotes CHO CVCL:0213
379 1746-1757 Gene denotes B2 receptor Gene:624
380 1978-1989 Gene denotes B2 receptor Gene:624
381 2107-2109 Gene denotes BK Gene:3827
382 2186-2188 Gene denotes BK Gene:3827
383 1972-1977 Species denotes human Tax:9606
384 1885-1889 Chemical denotes Ca2+ MESH:D000069285
385 2076-2080 Chemical denotes Ca2+ MESH:D000069285
386 2215-2219 Chemical denotes Ca2+ MESH:D000069285
387 1939-1942 CellLine denotes CHO CVCL:0213

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T83 0-2 Sentence denotes 3.
T84 3-24 Sentence denotes Materials and Methods
T85 26-30 Sentence denotes 3.1.
T86 31-52 Sentence denotes Computational Methods
T87 53-284 Sentence denotes Vitual screening on the DrugBank [23] was carried out using the Molecular Operating Environment (MOE) program [28], using four common points of the BK B1 and B2 pharmacophores described previously [25,26] that were used as a query.
T88 285-448 Sentence denotes Previously, a 3D DrugBank database containing the 3D structure, together with a set of conformations of each molecule, was constructed as explained elsewhere [24].
T89 449-580 Sentence denotes Virtual screening was carried out on the subset of molecules with molecular weight between 200 and 600 (a total of 1703 molecules).
T90 581-856 Sentence denotes Hits identified in the screening process were docked in the 3D models of the B1 and B2 bradykinin receptors, using a set of unique conformations resulting from thorough conformational searches for the diverse ligands studied and rank ordered by means of the MOE program [28].
T91 858-862 Sentence denotes 3.2.
T92 863-878 Sentence denotes In Vitro Assays
T93 880-886 Sentence denotes 3.2.1.
T94 887-913 Sentence denotes Ligand Displacement Assays
T95 914-1080 Sentence denotes Raloxifene was tested for its ability to displace reference ligands on human recombinant bradykinin B1 or B2 receptors, respectively, expressed in CHO cells at 20 µM.
T96 1081-1289 Sentence denotes For this purpose, first saturation isotherms were obtained with reference ligands ([3H] des-Arg10-BK (0.35 nM) in the case of B1, and [3H]-bradykinin (0.2 nM) for B2) incubated for 60 min at room temperature.
T97 1290-1423 Sentence denotes Nonspecific binding was evaluated by adding a reference compound (desArg9[Leu8]-BK at 10 µM in the case of B1 and BK at 1 µM for B2).
T98 1424-1656 Sentence denotes Antagonism of raloxifene was measured as a percent inhibition of specific binding of [3H]-bradykinin as control, obtained in the presence of raloxifene at 20 µM and using as reference compounds desArg10-KD for B1 and NPC-567 for B2.
T99 1658-1664 Sentence denotes 3.2.2.
T100 1665-1691 Sentence denotes Functional Efficacy Assays
T101 1692-1822 Sentence denotes Measurementent of the efficacy of the compound on the B2 receptor was carried out following the protocol described elsewhere [31].
T102 1823-2005 Sentence denotes The method is based on measuring differences in intracellular Ca2+ concentrations produced in diverse conditions on CHO cells expressing recombinant human B2 receptor by fluorometry.
T103 2006-2126 Sentence denotes Agonism was measured through the capacity of the compound to increase Ca2+ concentration compared to BK (EC50 ~ 2.4 pM).
T104 2127-2234 Sentence denotes Antagonism was measured through the capacity to antagonize BK based on the reduction of Ca2+ concentration.