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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