PMC:7461420 / 66288-67250
Annnotations
LitCovid-PD-MONDO
Id | Subject | Object | Predicate | Lexical cue | mondo_id |
---|---|---|---|---|---|
T313 | 175-179 | Disease | denotes | SARS | http://purl.obolibrary.org/obo/MONDO_0005091 |
T314 | 230-234 | Disease | denotes | SARS | http://purl.obolibrary.org/obo/MONDO_0005091 |
T315 | 322-326 | Disease | denotes | SARS | http://purl.obolibrary.org/obo/MONDO_0005091 |
T316 | 792-796 | Disease | denotes | SARS | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T814 | 215-221 | http://purl.obolibrary.org/obo/UBERON_0000473 | denotes | tested |
T815 | 349-357 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | activity |
T816 | 606-612 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | active |
T817 | 943-946 | http://purl.obolibrary.org/obo/CLO_0001178 | denotes | 243 |
T818 | 943-946 | http://purl.obolibrary.org/obo/CLO_0052433 | denotes | 243 |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T11376 | 12-18 | Chemical | denotes | isatin | http://purl.obolibrary.org/obo/CHEBI_27539 |
T88990 | 512-518 | Chemical | denotes | isatin | http://purl.obolibrary.org/obo/CHEBI_27539 |
T308 | 580-589 | Chemical | denotes | molecules | http://purl.obolibrary.org/obo/CHEBI_25367 |
T76303 | 640-648 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T73811 | 663-669 | Chemical | denotes | isatin | http://purl.obolibrary.org/obo/CHEBI_27539 |
T84389 | 699-701 | Chemical | denotes | NH | http://purl.obolibrary.org/obo/CHEBI_29339|http://purl.obolibrary.org/obo/CHEBI_73424 |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
2069 | 333-337 | Gene | denotes | Mpro | Gene:8673700 |
2070 | 803-807 | Gene | denotes | Mpro | Gene:8673700 |
2071 | 241-245 | Gene | denotes | Mpro | Gene:8673700 |
2072 | 186-190 | Gene | denotes | Mpro | Gene:8673700 |
2073 | 74-84 | Species | denotes | rhinovirus | Tax:12059 |
2074 | 148-158 | Species | denotes | rhinovirus | Tax:12059 |
2075 | 175-183 | Species | denotes | SARS‐CoV | Tax:694009 |
2076 | 230-238 | Species | denotes | SARS‐CoV | Tax:694009 |
2077 | 322-330 | Species | denotes | SARS‐CoV | Tax:694009 |
2078 | 392-395 | Species | denotes | SAR | Tax:2698737 |
2079 | 792-800 | Species | denotes | SARS‐CoV | Tax:694009 |
2080 | 12-18 | Chemical | denotes | isatin | MESH:D007510 |
2081 | 20-35 | Chemical | denotes | 2,3‐dioxoindole | |
2082 | 512-518 | Chemical | denotes | isatin | MESH:D007510 |
2083 | 663-669 | Chemical | denotes | isatin | MESH:D007510 |
2084 | 705-711 | Chemical | denotes | Gly143 | |
2085 | 713-719 | Chemical | denotes | Ser144 | |
2086 | 721-727 | Chemical | denotes | Cys145 | |
2087 | 733-738 | Chemical | denotes | His41 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T574 | 0-97 | Sentence | denotes | Previously, isatin (2,3‐dioxoindole) derivatives were observed to inhibit rhinovirus 3C protease. |
T575 | 98-246 | Sentence | denotes | 176 Due to the structural similarity between the rhinovirus 3C protease and SARS‐CoV‐1 Mpro, these derivatives were tested against SARS‐CoV‐1 Mpro. |
T576 | 247-386 | Sentence | denotes | Among them, 106 (IC50, 0.95 µM) and 107 (IC50, 0.98 µM) exhibited the best SARS‐CoV‐1 Mpro inhibitory activity in the low micromolar range. |
T577 | 387-545 | Sentence | denotes | 176 SAR studies suggested that the inhibition efficiency was mainly reliant on hydrophobic and electronic properties of the isatin core substitution pattern. |
T578 | 546-634 | Sentence | denotes | Docking studies revealed that the molecules fit well in the active site of the protease. |
T579 | 635-739 | Sentence | denotes | Both carbonyl groups of the isatin core engaged in H‐bonds with NH of Gly143, Ser144, Cys145, and His41. |
T580 | 740-962 | Sentence | denotes | Compounds 106 and 107 176 were more selective for SARS‐CoV‐1 Mpro than other proteases like papain (106, 103 µM; 107, 87.24 µM), chymotrypsin (106, ~1 mM; 107, 10.4 µM), and trypsin (106, 362 µM; 107, 243 µM; Figure 28). |