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PMC:7544943 / 11777-13050
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T14 | 31-38 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-MONDO
Id | Subject | Object | Predicate | Lexical cue | mondo_id |
---|---|---|---|---|---|
T37 | 479-487 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T38 | 592-600 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T39 | 670-678 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T40 | 694-702 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T47 | 201-204 | http://purl.obolibrary.org/obo/CLO_0051582 | denotes | has |
T48 | 242-243 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T49 | 272-273 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T50 | 378-379 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T51 | 395-396 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T52 | 402-403 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T53 | 409-410 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T54 | 496-497 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T55 | 518-519 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T56 | 522-524 | http://purl.obolibrary.org/obo/CLO_0053799 | denotes | 45 |
T57 | 525-526 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T58 | 532-533 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T59 | 939-945 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | active |
T60 | 1013-1016 | http://purl.obolibrary.org/obo/CLO_0050167 | denotes | LLC |
T61 | 1262-1265 | http://purl.obolibrary.org/obo/CLO_0050167 | denotes | LLC |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
256 | 681-685 | Gene | denotes | Mpro | Gene:8673700 |
257 | 490-494 | Gene | denotes | Mpro | Gene:8673700 |
258 | 479-489 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
259 | 592-602 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
260 | 670-680 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
261 | 694-704 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T115 | 0-137 | Sentence | denotes | The prepared structures of the protein and ligand were subjected to molecular docking analysis using AutoDock Vina (Trott & Olson, 2010). |
T116 | 138-233 | Sentence | denotes | AutoDock Vina is the newest member of the AutoDock family that has improved speed and accuracy. |
T117 | 234-377 | Sentence | denotes | It uses a hybrid scoring function and a quasi-Newtonian optimization algorithm to find the lowest energy confirmations within the search space. |
T118 | 378-495 | Sentence | denotes | A grid box of 40 Å × 65 Å × 70 Å was built with the centre of the box at (11.98, 0.60, 4.79) for the SARS-CoV-2 Mpro. |
T119 | 496-612 | Sentence | denotes | A grid box of size 30 Å × 45 Å × 30 Å with centre at (−36.51, 30.69, 5.48) was prepared for the SARS-CoV-2 RBD Spro. |
T120 | 613-790 | Sentence | denotes | The exhaustiveness of search was set at 20 and 8 for the SARS-CoV-2 Mpro and the SARS-CoV-2 RBD Spro, respectively, to compensate for the larger box volume and reliable results. |
T121 | 791-882 | Sentence | denotes | The docked poses were ranked as per their binding affinities at the end of the docking run. |
T122 | 883-1024 | Sentence | denotes | The ligand interactions of the best-docked poses at the active sites of the macromolecule were extracted using PyMol (Schrödinger LLC, 2017). |
T123 | 1025-1135 | Sentence | denotes | The ligand interactions were analysed using the 2D interaction plot in the Discovery Studio Visualizer (2005). |
T124 | 1136-1273 | Sentence | denotes | The Coulombic electrostatic potential surface was determined with the help of the APBS plugin available in PyMol (Schrödinger LLC, 2017). |
2_test
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
32938313-19499576-56197380 | 131-135 | 19499576 | denotes | 2010 |