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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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
T14 2289-2412 Sentence denotes The obtained binding results of noscapine were also well correlated with the pharmacokinetic parameters of antiviral drugs.