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. |