PMC:7544943 / 38148-39879 JSONTXT 6 Projects

Annnotations TAB TSV DIC JSON TextAE

Id Subject Object Predicate Lexical cue
T340 0-156 Sentence denotes The comprehensive study reveals that Piperine forms a stable complex with RBD Spro and Mpro and can be considered as an active inhibitor against SARS-CoV-2.
T341 157-341 Sentence denotes From the docking results, it is observed that the Piperine molecule is the best candidate for the inhibition of the RBD Spro and the Mpro of SARS-CoV-2 among the selected 30 molecules.
T342 342-630 Sentence denotes To observe the effectiveness of Piperine over currently used drugs, we carried out the docking study of a few drug molecules such as chloroquine, favipiravir, hydroxychloroquine, oseltamivir, remdesivir and ribavirin using the same docking protocol as followed for the 30 spice molecules.
T343 631-751 Sentence denotes From the docking score, it is found that Piperine performed better as compared to the currently used drugs stated above.
T344 752-946 Sentence denotes The lowest energy pose of a few presently used drugs with their 2D interaction diagram is provided in Supplementary Figures S5 and S6 corresponding to SARS-CoV-2 Mpro and RBD Spro, respectively.
T345 947-1065 Sentence denotes A comparison of the lowest energy dock scores of these drug molecules along with Piperine is also provided in Table 2.
T346 1066-1191 Sentence denotes The MD simulation results reveal that Piperine actively inhibits both the RBD Spro and Mpro by binding to their active sites.
T347 1192-1294 Sentence denotes Piperine binds on the active site of the RBD Spro with those residues by which it interacts with ACE2.
T348 1295-1405 Sentence denotes So, the binding of Piperine on that site may potentially cease the interaction tendency of RBD Spro with ACE2.
T349 1406-1510 Sentence denotes Similarly, the interaction of Piperine on the active site of the Mpro may inhibit its viral replication.
T350 1511-1731 Sentence denotes From the docking and MD results, we conclude that Piperine forms a very stable complex with RBD Spro and Mpro and shows better affinity as compared to the currently used drugs that are mentioned above against SARS-CoV-2.