PMC:7461420 / 67699-68468
Annnotations
LitCovid-PD-MONDO
| Id | Subject | Object | Predicate | Lexical cue | mondo_id |
|---|---|---|---|---|---|
| T318 | 66-69 | Disease | denotes | HTS | http://purl.obolibrary.org/obo/MONDO_0011549 |
| T319 | 141-145 | Disease | denotes | SARS | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T824 | 221-224 | http://purl.obolibrary.org/obo/CLO_0054057 | denotes | 181 |
| T825 | 249-252 | http://purl.obolibrary.org/obo/CLO_0053001 | denotes | 114 |
| T826 | 381-389 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | activity |
| T827 | 500-502 | http://purl.obolibrary.org/obo/CLO_0037284 | denotes | C4 |
| T828 | 565-573 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | activity |
| T829 | 687-689 | http://purl.obolibrary.org/obo/CLO_0050050 | denotes | S1 |
LitCovid-PD-CHEBI
| Id | Subject | Object | Predicate | Lexical cue | chebi_id |
|---|---|---|---|---|---|
| T8963 | 90-100 | Chemical | denotes | pyrazolone | http://purl.obolibrary.org/obo/CHEBI_83328 |
| T52199 | 105-113 | Chemical | denotes | pyrazole | http://purl.obolibrary.org/obo/CHEBI_14973|http://purl.obolibrary.org/obo/CHEBI_17241 |
| T97302 | 152-167 | Chemical | denotes | Mpro inhibitors | http://purl.obolibrary.org/obo/CHEBI_147285 |
| T83876 | 157-167 | Chemical | denotes | inhibitors | http://purl.obolibrary.org/obo/CHEBI_35222 |
| T5399 | 279-289 | Chemical | denotes | inhibitors | http://purl.obolibrary.org/obo/CHEBI_35222 |
| T15320 | 464-475 | Chemical | denotes | benzylidene | http://purl.obolibrary.org/obo/CHEBI_29857 |
| T78951 | 489-499 | Chemical | denotes | pyrazolone | http://purl.obolibrary.org/obo/CHEBI_83328 |
| T73608 | 518-526 | Chemical | denotes | electron | http://purl.obolibrary.org/obo/CHEBI_10545 |
| T55153 | 660-666 | Chemical | denotes | phenyl | http://purl.obolibrary.org/obo/CHEBI_30396 |
| T36598 | 719-730 | Chemical | denotes | benzylidene | http://purl.obolibrary.org/obo/CHEBI_29857 |
| T28060 | 745-747 | Chemical | denotes | S3 | http://purl.obolibrary.org/obo/CHEBI_29388 |
LitCovid-PubTator
| Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
|---|---|---|---|---|---|
| 2111 | 152-156 | Gene | denotes | Mpro | Gene:8673700 |
| 2112 | 682-686 | Gene | denotes | Mpro | Gene:8673700 |
| 2113 | 141-149 | Species | denotes | SARS‐CoV | Tax:694009 |
| 2114 | 398-402 | Species | denotes | CVB3 | Tax:12072 |
| 2115 | 90-100 | Chemical | denotes | pyrazolone | MESH:C038362 |
| 2116 | 105-113 | Chemical | denotes | pyrazole | MESH:C031280 |
| 2117 | 464-475 | Chemical | denotes | benzylidene | |
| 2118 | 489-502 | Chemical | denotes | pyrazolone C4 | |
| 2119 | 710-730 | Chemical | denotes | carboxyl benzylidene |
LitCovid-sentences
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T587 | 0-168 | Sentence | denotes | The modification of 110, identified by high‐throughput screening (HTS; Figure 29), led to pyrazolone and pyrazole derivatives 111 and 112 as SARS‐CoV‐1 Mpro inhibitors. |
| T588 | 169-220 | Sentence | denotes | 179 , 180 Taking these as leads, Ramajeyam et al. |
| T589 | 221-341 | Sentence | denotes | 181 reported compounds 112–114 to be the best‐performing inhibitors of the series(IC50 5.5, 6.8, 8.4 µM, respectively). |
| T590 | 342-409 | Sentence | denotes | They also observed moderate inhibitory activity against CVB3 3Cpro. |
| T591 | 410-574 | Sentence | denotes | Structure‐functionality analyses illustrated that the benzylidene ring next to pyrazolone C4 in addition to electron‐withdrawing groups, favors inhibitory activity. |
| T592 | 575-769 | Sentence | denotes | Molecular modeling studies of 112 predicted that for its inhibitory function, the N1‐phenyl residue in the Mpro S1 site as well as the carboxyl benzylidene moiety in the S3 pocket are important. |