LitCovid-sentences  

PMC:7784834 / 33876-35512 JSONTXT 2 Projects

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Id Subject Object Predicate Lexical cue
T234 0-2 Sentence denotes 4.
T235 4-14 Sentence denotes Conclusion
T236 15-197 Sentence denotes SARS-CoV-2 which causes the deadly and highly infectious COVID-19 remains an unmet medical issue that requires urgent attention, owing to the number of deaths it is causing globally.
T237 198-363 Sentence denotes We report here a computational approach for a repurposing screening program against two crucial SARS-CoV-2 drug targets viz. the spike protein and the main protease.
T238 364-525 Sentence denotes We discovered that the drug rutin, showed a high binding potency against both the drug targets and may therefore be capable of eliciting reduction in viral load.
T239 526-700 Sentence denotes The current study delineates that the highly effective repurposed drug rutin has the potential to obtain strong inhibition against SARS-CoV-2 spike protein and main protease.
T240 701-843 Sentence denotes Rutin showed high binding efficiency against spike protein and main protease having an XP Glide score of –8.367 kcal/mol and –11.553 kcal/mol.
T241 844-996 Sentence denotes Further, the molecular interactions of rutin with both the drug targets were analysed thoroughly with the help of molecular dynamics simulation studies.
T242 997-1118 Sentence denotes The simulations for spike protein and main protease provided us with the stable trajectory analysis for both the targets.
T243 1119-1458 Sentence denotes We analyzed various parameters which include RMSD, RMSF, radius of gyration, SASA, binding energies, hydrogen bond interactions, secondary structure contents, and cluster formation throughout the simulation, which proposed insights about the stable binding and compactness due to strong interaction of the rutin with both the drug targets.
T244 1459-1636 Sentence denotes Through this in silico approach, the repurposed drug, rutin depicted reliable inhibition of two vital proteins and therefore may lead to elicitation of anti-SARS-CoV-2 activity.