PMC:7594251 / 56268-58653
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T83107 | 400-407 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
T98493 | 544-551 | Body_part | denotes | tubulin | http://purl.org/sig/ont/fma/fma67116 |
T25827 | 699-714 | Body_part | denotes | protein complex | http://purl.org/sig/ont/fma/fma67906 |
T12583 | 1100-1107 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T393 | 278-279 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T394 | 523-524 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T395 | 567-568 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T396 | 690-691 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T397 | 699-714 | http://purl.obolibrary.org/obo/GO_0043234 | denotes | protein complex |
T398 | 843-844 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T399 | 1196-1197 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T400 | 1323-1324 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T401 | 1352-1353 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T402 | 1358-1359 | http://purl.obolibrary.org/obo/CLO_0001021 | denotes | B |
T403 | 1449-1450 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T404 | 1455-1456 | http://purl.obolibrary.org/obo/CLO_0001021 | denotes | B |
T405 | 1488-1489 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T406 | 1584-1585 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T407 | 1590-1591 | http://purl.obolibrary.org/obo/CLO_0001021 | denotes | B |
T408 | 1725-1726 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T409 | 1808-1810 | http://purl.obolibrary.org/obo/CLO_0004265 | denotes | HT |
T410 | 1943-1944 | http://purl.obolibrary.org/obo/CLO_0001021 | denotes | B |
T411 | 2050-2052 | http://purl.obolibrary.org/obo/CLO_0004265 | denotes | HT |
T412 | 2099-2101 | http://purl.obolibrary.org/obo/CLO_0003622 | denotes | HB |
T413 | 2106-2107 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T414 | 2150-2152 | http://purl.obolibrary.org/obo/CLO_0003622 | denotes | HB |
T415 | 2203-2204 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T62744 | 164-171 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T98062 | 236-242 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T40790 | 263-270 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T44712 | 358-365 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T28626 | 400-407 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T42404 | 476-482 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T71241 | 495-507 | Chemical | denotes | baccatin III | http://purl.obolibrary.org/obo/CHEBI_32898 |
T1136 | 512-524 | Chemical | denotes | epothilone A | http://purl.obolibrary.org/obo/CHEBI_31549 |
T86674 | 512-522 | Chemical | denotes | epothilone | http://purl.obolibrary.org/obo/CHEBI_60831 |
T56747 | 617-623 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T53977 | 692-698 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T12012 | 699-706 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T980 | 880-886 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T94020 | 1090-1096 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T54355 | 1100-1107 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T84899 | 1140-1146 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T31753 | 1325-1332 | Chemical | denotes | mixture | http://purl.obolibrary.org/obo/CHEBI_60004 |
T25990 | 1344-1351 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T53503 | 1576-1583 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T61929 | 1708-1714 | Chemical | denotes | proton | http://purl.obolibrary.org/obo/CHEBI_24636 |
T55944 | 1718-1724 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T89000 | 1728-1730 | Chemical | denotes | HA | http://purl.obolibrary.org/obo/CHEBI_73924 |
T2221 | 1802-1804 | Chemical | denotes | HA | http://purl.obolibrary.org/obo/CHEBI_73924 |
T58953 | 1936-1942 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T66981 | 2092-2094 | Chemical | denotes | HA | http://purl.obolibrary.org/obo/CHEBI_73924 |
T75289 | 2147-2149 | Chemical | denotes | HA | http://purl.obolibrary.org/obo/CHEBI_73924 |
T33419 | 2356-2362 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
631 | 1652-1656 | Gene | denotes | spin | Gene:10927 |
632 | 495-507 | Chemical | denotes | baccatin III | MESH:C073950 |
633 | 512-524 | Chemical | denotes | epothilone A | MESH:C093787 |
LitCovid-PD-GO-BP
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T16144 | 373-381 | http://purl.obolibrary.org/obo/GO_0015297 | denotes | exchange |
T55554 | 1062-1070 | http://purl.obolibrary.org/obo/GO_0015297 | denotes | exchange |
T99470 | 1495-1503 | http://purl.obolibrary.org/obo/GO_0015297 | denotes | exchange |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T388 | 0-6 | Sentence | denotes | 3.1.5. |
T389 | 7-52 | Sentence | denotes | The INPHARMA Method for Pharmacophore Mapping |
T390 | 53-271 | Sentence | denotes | The INPHARMA method (see Figure 10) was designed to determine the relative orientation between two competitive ligands in the receptor-binding pocket through the observation of inter-ligand NOE between the two ligands. |
T391 | 272-408 | Sentence | denotes | It is a tr-NOE in nature as it is mediated by the bound conformation of the competing ligands and in exchange with the receptor protein. |
T392 | 409-584 | Sentence | denotes | The first example was competitive binding and observation of inter-ligand NOE between baccatin III and epothilone A in the presence of tubulin, which acts as a receptor [284]. |
T393 | 585-660 | Sentence | denotes | Since the observation is on the ligand site, it provides unique advantages. |
T394 | 661-752 | Sentence | denotes | The detailed conformation of a ligand-protein complex can be addressed by conventional NMR. |
T395 | 753-861 | Sentence | denotes | However, it is time-consuming and demands full solving of the structure and there is also a size limitation. |
T396 | 862-917 | Sentence | denotes | From that aspect, ligand-based methods are more useful. |
T397 | 918-1114 | Sentence | denotes | The only limiting fact is that it should fulfill all the conditions of tr-NOE explained previously in terms of dissociation constant (Kd), fast exchange regime, and proper ligand to protein ratio. |
T398 | 1115-1222 | Sentence | denotes | Then, information on the ligand structure can be derived from tr-NOE build up as a function of mixing time. |
T399 | 1223-1300 | Sentence | denotes | This can be readily explained using the originally proposed schematics [284]. |
T400 | 1301-1415 | Sentence | denotes | The NOESY spectrum of a mixture of the two ligands A and B in the presence of the common receptor (T) is recorded. |
T401 | 1416-1667 | Sentence | denotes | Under the situation that each of A and B exhibit competitive binding in a fast exchange regime with the receptor T, intermolecular tr-NOE peaks between the two ligands A and B can then be observed in the NOESY spectrum due to extensive spin diffusion. |
T402 | 1668-1811 | Sentence | denotes | During the NOESY mixing time, the first proton of ligand A (HA) binds to receptor T, which results in transfers of magnetization from HA to HT. |
T403 | 1812-1996 | Sentence | denotes | Subsequently, the complex AT dissociates as they fulfill the dissociation constant range, which creates the opportunity for ligand B to bind to the receptor T at the same binding site. |
T404 | 1997-2102 | Sentence | denotes | This results in the transfer of the magnetization of HT, which had been originally coming from HA, to HB. |
T405 | 2103-2248 | Sentence | denotes | As a result, an inter-molecular correlation HA–HB can be seen, and this inter-molecular NOE will be a function of mixing time as described above. |
T406 | 2249-2385 | Sentence | denotes | The detailed analysis of such intermolecular NOE peaks helps in assessing the relative orientation of each ligand in the binding pocket. |