PubMed:32786685
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T1 | 2025-2028 | Body_part | denotes | map | http://purl.org/sig/ont/fma/fma67847 |
T2 | 2230-2237 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-MONDO
Id | Subject | Object | Predicate | Lexical cue | mondo_id |
---|---|---|---|---|---|
T1 | 103-111 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T2 | 184-192 | Disease | denotes | COVID-19 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T3 | 278-286 | Disease | denotes | COVID-19 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T4 | 336-383 | Disease | denotes | severe acute respiratory syndrome coronavirus 2 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T5 | 336-369 | Disease | denotes | severe acute respiratory syndrome | http://purl.obolibrary.org/obo/MONDO_0005091 |
T6 | 385-393 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T7 | 560-568 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T8 | 599-607 | Disease | denotes | COVID-19 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T9 | 909-917 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T10 | 1169-1177 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
T11 | 1610-1612 | Disease | denotes | PB | http://purl.obolibrary.org/obo/MONDO_0019035 |
T12 | 1719-1721 | Disease | denotes | PB | http://purl.obolibrary.org/obo/MONDO_0019035 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1 | 193-196 | http://purl.obolibrary.org/obo/CLO_0051582 | denotes | has |
T2 | 212-213 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T3 | 243-244 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T4 | 300-301 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T5 | 497-502 | http://purl.obolibrary.org/obo/NCBITaxon_10239 | denotes | virus |
T6 | 582-587 | http://purl.obolibrary.org/obo/NCBITaxon_9606 | denotes | human |
T7 | 918-922 | http://purl.obolibrary.org/obo/CLO_0001236 | denotes | 2, a |
T8 | 1001-1003 | http://purl.obolibrary.org/obo/CLO_0007622 | denotes | MD |
T9 | 1292-1293 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T10 | 1486-1487 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T11 | 1563-1564 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T12 | 1600-1601 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
T13 | 1957-1958 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T14 | 1968-1973 | http://purl.obolibrary.org/obo/UBERON_0007688 | denotes | field |
T15 | 2249-2250 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T1 | 649-654 | Chemical | denotes | drugs | http://purl.obolibrary.org/obo/CHEBI_23888 |
T2 | 843-851 | Chemical | denotes | alkaloid | http://purl.obolibrary.org/obo/CHEBI_22315 |
T3 | 853-862 | Chemical | denotes | noscapine | http://purl.obolibrary.org/obo/CHEBI_73237 |
T4 | 1001-1003 | Chemical | denotes | MD | http://purl.obolibrary.org/obo/CHEBI_74699 |
T5 | 1031-1038 | Chemical | denotes | solvent | http://purl.obolibrary.org/obo/CHEBI_46787 |
T6 | 1082-1091 | Chemical | denotes | noscapine | http://purl.obolibrary.org/obo/CHEBI_73237 |
T7 | 1185-1189 | Chemical | denotes | drug | http://purl.obolibrary.org/obo/CHEBI_23888 |
T8 | 1239-1248 | Chemical | denotes | noscapine | http://purl.obolibrary.org/obo/CHEBI_73237 |
T9 | 1336-1347 | Chemical | denotes | chloroquine | http://purl.obolibrary.org/obo/CHEBI_3638 |
T10 | 1349-1358 | Chemical | denotes | ribavirin | http://purl.obolibrary.org/obo/CHEBI_63580 |
T11 | 1364-1375 | Chemical | denotes | favipiravir | http://purl.obolibrary.org/obo/CHEBI_134722 |
T12 | 1565-1567 | Chemical | denotes | Rg | http://purl.obolibrary.org/obo/CHEBI_33368 |
T13 | 1607-1609 | Chemical | denotes | MM | http://purl.obolibrary.org/obo/CHEBI_53458|http://purl.obolibrary.org/obo/CHEBI_74707 |
T15 | 1610-1612 | Chemical | denotes | PB | http://purl.obolibrary.org/obo/CHEBI_53319|http://purl.obolibrary.org/obo/CHEBI_60686 |
T17 | 1618-1620 | Chemical | denotes | SA | http://purl.obolibrary.org/obo/CHEBI_35962|http://purl.obolibrary.org/obo/CHEBI_38358|http://purl.obolibrary.org/obo/CHEBI_45373|http://purl.obolibrary.org/obo/CHEBI_74801 |
T21 | 1719-1721 | Chemical | denotes | PB | http://purl.obolibrary.org/obo/CHEBI_53319|http://purl.obolibrary.org/obo/CHEBI_60686 |
T23 | 1795-1797 | Chemical | denotes | MM | http://purl.obolibrary.org/obo/CHEBI_53458|http://purl.obolibrary.org/obo/CHEBI_74707 |
T25 | 1959-1961 | Chemical | denotes | MM | http://purl.obolibrary.org/obo/CHEBI_53458|http://purl.obolibrary.org/obo/CHEBI_74707 |
T27 | 2156-2165 | Chemical | denotes | noscapine | http://purl.obolibrary.org/obo/CHEBI_73237 |
T28 | 2230-2237 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T29 | 2238-2243 | Chemical | denotes | atoms | http://purl.obolibrary.org/obo/CHEBI_33250 |
T30 | 2273-2281 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
T31 | 2321-2330 | Chemical | denotes | noscapine | http://purl.obolibrary.org/obo/CHEBI_73237 |
T32 | 2396-2411 | Chemical | denotes | antiviral drugs | http://purl.obolibrary.org/obo/CHEBI_36044 |
T33 | 2396-2405 | Chemical | denotes | antiviral | http://purl.obolibrary.org/obo/CHEBI_22587 |
T34 | 2406-2411 | Chemical | denotes | drugs | http://purl.obolibrary.org/obo/CHEBI_23888 |
LitCovid-PD-GO-BP
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1 | 950-962 | http://purl.obolibrary.org/obo/GO_0000003 | denotes | reproduction |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1 | 0-123 | Sentence | denotes | Molecular Binding Mechanism and Pharmacology Comparative Analysis of Noscapine for Repurposing against SARS-CoV-2 Protease. |
T2 | 124-277 | Sentence | denotes | Originating in the city of Wuhan in China in December 2019, COVID-19 has emerged now as a global health emergency with a high number of deaths worldwide. |
T3 | 278-448 | Sentence | denotes | COVID-19 is caused by a novel coronavirus, referred to as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), resulting in pandemic conditions around the globe. |
T4 | 449-608 | Sentence | denotes | We are in the battleground to fight against the virus by rapidly developing therapeutic strategies in tackling SARS-CoV-2 and saving human lives from COVID-19. |
T5 | 609-762 | Sentence | denotes | Scientists are evaluating several known drugs either for the pathogen or the host; however, many of them are reported to be associated with side effects. |
T6 | 763-963 | Sentence | denotes | In the present study, we report the molecular binding mechanisms of the natural alkaloid, noscapine, for repurposing against the main protease of SARS-CoV-2, a key enzyme involved in its reproduction. |
T7 | 964-1180 | Sentence | denotes | We performed the molecular dynamics (MD) simulation in an explicit solvent to investigate the molecular mechanisms of noscapine for stable binding and conformational changes to the main protease (Mpro) of SARS-CoV-2. |
T8 | 1181-1376 | Sentence | denotes | The drug repurposing study revealed the high potential of noscapine and proximal binding to the Mpro enzyme in a comparative binding pattern analyzed with chloroquine, ribavirin, and favipiravir. |
T9 | 1377-1602 | Sentence | denotes | Noscapine binds closely to binding pocket-3 of the Mpro enzyme and depicted stable binding with RMSD 0.1-1.9 Å and RMSF profile peak conformational fluctuations at 202-306 residues, and a Rg score ranging from 21.9 to 22.4 Å. |
T10 | 1603-1753 | Sentence | denotes | The MM/PB (GB) SA calculation landscape revealed the most significant contribution in terms of binding energy with ΔPB -19.08 and ΔGB -27.17 kcal/mol. |
T11 | 1754-1974 | Sentence | denotes | The electrostatic energy distribution in MM energy was obtained to be -71.16 kcal/mol and depicted high free energy decomposition (electrostatic energy) at 155-306 residues (binding pocket-3) of Mpro by a MM force field. |
T12 | 1975-2166 | Sentence | denotes | Moreover, the dynamical residue cross-correlation map also stated that the high pairwise correlation occurred at binding residues 200-306 of the Mpro enzyme (binding pocket-3) with noscapine. |
T13 | 2167-2288 | Sentence | denotes | Principal component analysis depicted the enhanced movement of protein atoms with a high number of static hydrogen bonds. |
T14 | 2289-2412 | Sentence | denotes | The obtained binding results of noscapine were also well correlated with the pharmacokinetic parameters of antiviral drugs. |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
2 | 69-78 | Chemical | denotes | Noscapine | MESH:D009665 |
3 | 103-113 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
30 | 184-192 | Disease | denotes | COVID-19 | MESH:C000657245 |
31 | 260-266 | Disease | denotes | deaths | MESH:D003643 |
32 | 278-286 | Disease | denotes | COVID-19 | MESH:C000657245 |
33 | 302-319 | Species | denotes | novel coronavirus | Tax:2697049 |
34 | 336-383 | Species | denotes | severe acute respiratory syndrome coronavirus 2 | Tax:2697049 |
35 | 385-395 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
36 | 560-570 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
37 | 582-587 | Species | denotes | human | Tax:9606 |
38 | 599-607 | Disease | denotes | COVID-19 | MESH:C000657245 |
39 | 853-862 | Chemical | denotes | noscapine | MESH:D009665 |
40 | 909-919 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
41 | 1082-1091 | Chemical | denotes | noscapine | MESH:D009665 |
42 | 1160-1164 | Gene | denotes | Mpro | Gene:8673700 |
43 | 1169-1179 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
44 | 1239-1248 | Chemical | denotes | noscapine | MESH:D009665 |
45 | 1277-1281 | Gene | denotes | Mpro | Gene:8673700 |
46 | 1336-1347 | Chemical | denotes | chloroquine | MESH:D002738 |
47 | 1349-1358 | Chemical | denotes | ribavirin | MESH:D012254 |
48 | 1364-1375 | Chemical | denotes | favipiravir | MESH:C462182 |
49 | 1377-1386 | Chemical | denotes | Noscapine | MESH:D009665 |
50 | 1428-1432 | Gene | denotes | Mpro | Gene:8673700 |
51 | 1949-1953 | Gene | denotes | Mpro | Gene:8673700 |
52 | 2120-2124 | Gene | denotes | Mpro | Gene:8673700 |
53 | 2156-2165 | Chemical | denotes | noscapine | MESH:D009665 |
54 | 2273-2281 | Chemical | denotes | hydrogen | MESH:D006859 |
55 | 2321-2330 | Chemical | denotes | noscapine | MESH:D009665 |
LitCovid_AGAC_only
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
p95180s0 | 278-283 | Disease | denotes | COVID |
p95180s1 | 283-284 | Disease | denotes | - |
p95180s2 | 284-286 | Disease | denotes | 19 |
p95180s4 | 290-299 | Reg | denotes | caused by |
sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1 | 0-123 | Sentence | denotes | Molecular Binding Mechanism and Pharmacology Comparative Analysis of Noscapine for Repurposing against SARS-CoV-2 Protease. |
T2 | 124-277 | Sentence | denotes | Originating in the city of Wuhan in China in December 2019, COVID-19 has emerged now as a global health emergency with a high number of deaths worldwide. |
T3 | 278-448 | Sentence | denotes | COVID-19 is caused by a novel coronavirus, referred to as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), resulting in pandemic conditions around the globe. |
T4 | 449-608 | Sentence | denotes | We are in the battleground to fight against the virus by rapidly developing therapeutic strategies in tackling SARS-CoV-2 and saving human lives from COVID-19. |
T5 | 609-762 | Sentence | denotes | Scientists are evaluating several known drugs either for the pathogen or the host; however, many of them are reported to be associated with side effects. |
T6 | 763-963 | Sentence | denotes | In the present study, we report the molecular binding mechanisms of the natural alkaloid, noscapine, for repurposing against the main protease of SARS-CoV-2, a key enzyme involved in its reproduction. |
T7 | 964-1180 | Sentence | denotes | We performed the molecular dynamics (MD) simulation in an explicit solvent to investigate the molecular mechanisms of noscapine for stable binding and conformational changes to the main protease (Mpro) of SARS-CoV-2. |
T8 | 1181-1376 | Sentence | denotes | The drug repurposing study revealed the high potential of noscapine and proximal binding to the Mpro enzyme in a comparative binding pattern analyzed with chloroquine, ribavirin, and favipiravir. |
T9 | 1377-1602 | Sentence | denotes | Noscapine binds closely to binding pocket-3 of the Mpro enzyme and depicted stable binding with RMSD 0.1-1.9 Å and RMSF profile peak conformational fluctuations at 202-306 residues, and a Rg score ranging from 21.9 to 22.4 Å. |
T10 | 1603-1753 | Sentence | denotes | The MM/PB (GB) SA calculation landscape revealed the most significant contribution in terms of binding energy with ΔPB -19.08 and ΔGB -27.17 kcal/mol. |
T11 | 1754-1974 | Sentence | denotes | The electrostatic energy distribution in MM energy was obtained to be -71.16 kcal/mol and depicted high free energy decomposition (electrostatic energy) at 155-306 residues (binding pocket-3) of Mpro by a MM force field. |
T12 | 1975-2166 | Sentence | denotes | Moreover, the dynamical residue cross-correlation map also stated that the high pairwise correlation occurred at binding residues 200-306 of the Mpro enzyme (binding pocket-3) with noscapine. |
T13 | 2167-2288 | Sentence | denotes | Principal component analysis depicted the enhanced movement of protein atoms with a high number of static hydrogen bonds. |
T14 | 2289-2412 | Sentence | denotes | The obtained binding results of noscapine were also well correlated with the pharmacokinetic parameters of antiviral drugs. |
T1 | 0-123 | Sentence | denotes | Molecular Binding Mechanism and Pharmacology Comparative Analysis of Noscapine for Repurposing against SARS-CoV-2 Protease. |
T2 | 124-277 | Sentence | denotes | Originating in the city of Wuhan in China in December 2019, COVID-19 has emerged now as a global health emergency with a high number of deaths worldwide. |
T3 | 278-448 | Sentence | denotes | COVID-19 is caused by a novel coronavirus, referred to as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), resulting in pandemic conditions around the globe. |
T4 | 449-608 | Sentence | denotes | We are in the battleground to fight against the virus by rapidly developing therapeutic strategies in tackling SARS-CoV-2 and saving human lives from COVID-19. |
T5 | 609-762 | Sentence | denotes | Scientists are evaluating several known drugs either for the pathogen or the host; however, many of them are reported to be associated with side effects. |
T6 | 763-963 | Sentence | denotes | In the present study, we report the molecular binding mechanisms of the natural alkaloid, noscapine, for repurposing against the main protease of SARS-CoV-2, a key enzyme involved in its reproduction. |
T7 | 964-1180 | Sentence | denotes | We performed the molecular dynamics (MD) simulation in an explicit solvent to investigate the molecular mechanisms of noscapine for stable binding and conformational changes to the main protease (Mpro) of SARS-CoV-2. |
T8 | 1181-1376 | Sentence | denotes | The drug repurposing study revealed the high potential of noscapine and proximal binding to the Mpro enzyme in a comparative binding pattern analyzed with chloroquine, ribavirin, and favipiravir. |
T9 | 1377-1602 | Sentence | denotes | Noscapine binds closely to binding pocket-3 of the Mpro enzyme and depicted stable binding with RMSD 0.1-1.9 Å and RMSF profile peak conformational fluctuations at 202-306 residues, and a Rg score ranging from 21.9 to 22.4 Å. |
T10 | 1603-1753 | Sentence | denotes | The MM/PB (GB) SA calculation landscape revealed the most significant contribution in terms of binding energy with ΔPB -19.08 and ΔGB -27.17 kcal/mol. |
T11 | 1754-1974 | Sentence | denotes | The electrostatic energy distribution in MM energy was obtained to be -71.16 kcal/mol and depicted high free energy decomposition (electrostatic energy) at 155-306 residues (binding pocket-3) of Mpro by a MM force field. |
T12 | 1975-2166 | Sentence | denotes | Moreover, the dynamical residue cross-correlation map also stated that the high pairwise correlation occurred at binding residues 200-306 of the Mpro enzyme (binding pocket-3) with noscapine. |
T13 | 2167-2288 | Sentence | denotes | Principal component analysis depicted the enhanced movement of protein atoms with a high number of static hydrogen bonds. |
T14 | 2289-2412 | Sentence | denotes | The obtained binding results of noscapine were also well correlated with the pharmacokinetic parameters of antiviral drugs. |
Glycosmos6-MAT
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1 | 1253-1261 | http://purl.obolibrary.org/obo/MAT_0000491 | denotes | proximal |
mondo_disease
Id | Subject | Object | Predicate | Lexical cue | mondo_id |
---|---|---|---|---|---|
T1 | 103-113 | Disease | denotes | SARS-CoV-2 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T2 | 184-192 | Disease | denotes | COVID-19 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T3 | 278-286 | Disease | denotes | COVID-19 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T4 | 336-383 | Disease | denotes | severe acute respiratory syndrome coronavirus 2 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T5 | 385-395 | Disease | denotes | SARS-CoV-2 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T6 | 560-570 | Disease | denotes | SARS-CoV-2 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T7 | 599-607 | Disease | denotes | COVID-19 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T8 | 909-919 | Disease | denotes | SARS-CoV-2 | http://purl.obolibrary.org/obo/MONDO_0100096 |
T9 | 1169-1179 | Disease | denotes | SARS-CoV-2 | http://purl.obolibrary.org/obo/MONDO_0100096 |
Anatomy-MAT
Id | Subject | Object | Predicate | Lexical cue | mat_id |
---|---|---|---|---|---|
T1 | 1253-1261 | Body_part | denotes | proximal | http://purl.obolibrary.org/obo/MAT_0000491 |
NCBITAXON
Id | Subject | Object | Predicate | Lexical cue | db_id |
---|---|---|---|---|---|
T1 | 103-111 | OrganismTaxon | denotes | SARS-CoV | 694009 |
T2 | 160-165 | OrganismTaxon | denotes | China | 3034371 |
T3 | 336-369 | OrganismTaxon | denotes | severe acute respiratory syndrome | 694009 |
T4 | 385-393 | OrganismTaxon | denotes | SARS-CoV | 694009 |
T5 | 560-568 | OrganismTaxon | denotes | SARS-CoV | 694009 |
T6 | 582-587 | OrganismTaxon | denotes | human | 9606 |
T7 | 909-917 | OrganismTaxon | denotes | SARS-CoV | 694009 |
T8 | 1169-1177 | OrganismTaxon | denotes | SARS-CoV | 694009 |
Anatomy-UBERON
Id | Subject | Object | Predicate | Lexical cue | uberon_id |
---|---|---|---|---|---|
T1 | 442-447 | Body_part | denotes | globe | http://purl.obolibrary.org/obo/UBERON_0010230 |