LitCovid-sentences  

PMC:7544943 / 39896-41325 JSONTXT 7 Projects

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Id Subject Object Predicate Lexical cue
T353 0-227 Sentence denotes This study used molecular docking and MD simulation as potential tools to monitor the inhibitory efficiency of natural spice molecules against SARS-CoV-2, which emerged as a global threat to millions of people across the globe.
T354 228-385 Sentence denotes It is observed that all the proposed spice molecules qualified the ADME test with their suitable pharmacokinetic properties to be useful as a drug candidate.
T355 386-554 Sentence denotes The docking study is revealed that all the molecules actively take part in binding to the SARS-CoV-2 RBD Spro and Mpro with their low or high value of binding affinity.
T356 555-695 Sentence denotes This binding of these molecules will help to inhibit the replication of the viral proteins with specific hindrances upon their mutarotation.
T357 696-855 Sentence denotes For both the viral targets, Piperine performed well with its highest binding affinity of −6.4 and −7.3 kcal/mol for SARS-CoV-2 RBD Spro and Mpro, respectively.
T358 856-952 Sentence denotes Besides, Piperine is also found more effective as compared to a few of the currently used drugs.
T359 953-1063 Sentence denotes The MD simulation study is supported for the stable interaction of Piperine with SARS-Cov-2 RBD Spro and Mpro.
T360 1064-1209 Sentence denotes The PCA and binding free energy results also suggest for the active participation of Piperine in stable complex formation with RBD Spro and MPro.
T361 1210-1300 Sentence denotes Hence, the study proposes Piperine as an active molecule for the inhibition of SARS-CoV-2.
T362 1301-1429 Sentence denotes Since this study is performed computationally, it requires wet-lab experiments in-vitroas well as in-vivofor further validation.