PMC:7544943 / 11747-13050
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T14 | 61-68 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-MONDO
Id | Subject | Object | Predicate | Lexical cue | mondo_id |
---|---|---|---|---|---|
T37 | 509-517 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T38 | 622-630 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T39 | 700-708 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T40 | 724-732 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T47 | 231-234 | http://purl.obolibrary.org/obo/CLO_0051582 | denotes | has |
T48 | 272-273 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T49 | 302-303 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T50 | 408-409 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T51 | 425-426 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T52 | 432-433 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T53 | 439-440 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T54 | 526-527 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T55 | 548-549 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T56 | 552-554 | http://purl.obolibrary.org/obo/CLO_0053799 | denotes | 45 |
T57 | 555-556 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T58 | 562-563 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T59 | 969-975 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | active |
T60 | 1043-1046 | http://purl.obolibrary.org/obo/CLO_0050167 | denotes | LLC |
T61 | 1292-1295 | http://purl.obolibrary.org/obo/CLO_0050167 | denotes | LLC |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
256 | 711-715 | Gene | denotes | Mpro | Gene:8673700 |
257 | 520-524 | Gene | denotes | Mpro | Gene:8673700 |
258 | 509-519 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
259 | 622-632 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
260 | 700-710 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
261 | 724-734 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T113 | 0-4 | Sentence | denotes | 2.3. |
T114 | 6-29 | Sentence | denotes | Molecular docking study |
T115 | 30-167 | Sentence | denotes | The prepared structures of the protein and ligand were subjected to molecular docking analysis using AutoDock Vina (Trott & Olson, 2010). |
T116 | 168-263 | Sentence | denotes | AutoDock Vina is the newest member of the AutoDock family that has improved speed and accuracy. |
T117 | 264-407 | 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 | 408-525 | 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 | 526-642 | 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 | 643-820 | 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 | 821-912 | Sentence | denotes | The docked poses were ranked as per their binding affinities at the end of the docking run. |
T122 | 913-1054 | 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 | 1055-1165 | Sentence | denotes | The ligand interactions were analysed using the 2D interaction plot in the Discovery Studio Visualizer (2005). |
T124 | 1166-1303 | 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 | 161-165 | 19499576 | denotes | 2010 |