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PMC:7784834 / 161-1804 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
16 550-555 Gene denotes spike Gene:43740568
17 745-750 Gene denotes spike Gene:43740568
18 1348-1349 Gene denotes N Gene:43740575
19 1317-1318 Gene denotes N Gene:43740575
20 1322-1327 Gene denotes spike Gene:43740568
21 1230-1235 Gene denotes spike Gene:43740568
22 51-98 Species denotes severe acute respiratory syndrome coronavirus 2 Tax:2697049
23 100-110 Species denotes SARS-CoV-2 Tax:2697049
24 912-917 Species denotes human Tax:9606
25 1061-1066 Chemical denotes rutin MESH:D012431
26 1637-1642 Chemical denotes rutin MESH:D012431
27 821-830 Disease denotes infection MESH:D007239

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T6 0-8 Sentence denotes Abstract
T7 9-171 Sentence denotes The global health emergency caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has led to alarming numbers of fatalities across the world.
T8 172-304 Sentence denotes So far the researchers worldwide have not been able to discover a breakthrough in the form of a potent drug or an effective vaccine.
T9 305-378 Sentence denotes Therefore, it is imperative to discover drugs to curb the ongoing menace.
T10 379-504 Sentence denotes In silico approaches using FDA approved drugs can expedite the drug discovery process by providing leads that can be pursued.
T11 505-718 Sentence denotes In this report, two drug targets, namely the spike protein and main protease, belonging to structural and non-structural class of proteins respectively, were utilized to carry out drug repurposing based screening.
T12 719-972 Sentence denotes The exposed nature of the spike protein on the viral surface along with its instrumental role in host infection and the involvement of main protease in processing of polyproteins along with no human homologue make these proteins attractive drug targets.
T13 973-1067 Sentence denotes Interestingly, the screening identified a common high efficiency binding molecule named rutin.
T14 1068-1196 Sentence denotes Further, molecular dynamics simulations in explicit solvent affirmed the stable and sturdy binding of rutin with these proteins.
T15 1197-1498 Sentence denotes The decreased Rg value (4 nm for spike-rutin and 2.23 nm for main protease-rutin) and stagnant SASA analysis (485 nm/S2/N in spike-rutin and 152 nm/S2/N in main protease-rutin) for protein surface and its orientation in the exposed and buried regions suggests a strong binding interaction of the drug.
T16 1499-1643 Sentence denotes Further, cluster analysis and secondary structure analysis of complex trajectories validated the conformational changes due to binding of rutin.