Id |
Subject |
Object |
Predicate |
Lexical cue |
T7 |
0-119 |
Sentence |
denotes |
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a novel infectious disease that is in rapid growth. |
T8 |
120-195 |
Sentence |
denotes |
Several trials are going on worldwide to find a solution for this pandemic. |
T9 |
196-382 |
Sentence |
denotes |
The viral replication can be blocked by inhibiting the receptor-binding domain (RBD) of SARS-CoV-2 spike protein (SARS-CoV-2 RBD Spro) and the SARS-CoV-2 main protease (SARS-CoV-2 Mpro). |
T10 |
383-501 |
Sentence |
denotes |
The binding of potential small molecules to these proteins can inhibit the replication and transcription of the virus. |
T11 |
502-604 |
Sentence |
denotes |
The spice molecules that are used in our food have antiviral, antifungal and antimicrobial properties. |
T12 |
605-737 |
Sentence |
denotes |
As spice molecules are consumed in the diet, hence its antiviral properties against SARS-CoV-2 will benefit in a significant manner. |
T13 |
738-940 |
Sentence |
denotes |
Therefore, in this work, the molecular docking of 30 selected spice molecules (screened through ADME property) was performed to identify the potential inhibitors for the RBD Spro and Mpro of SARS-CoV-2. |
T14 |
941-1116 |
Sentence |
denotes |
We have found that though all the molecules bind actively with the SARS-CoV-2 RBD Spro and Mpro, but Piperine has the highest binding affinity among the 30 screened molecules. |
T15 |
1117-1227 |
Sentence |
denotes |
Besides, the comparative study between Piperine and currently used drugs show that Piperine is more effective. |
T16 |
1228-1350 |
Sentence |
denotes |
The interaction of Piperine with RBD Spro and Mpro is further validated by the molecular dynamics (MD) simulation studies. |
T17 |
1351-1491 |
Sentence |
denotes |
The free energy landscape and binding free energy results also, support for the stable complex formation of Piperine with RBD Spro and Mpro. |
T18 |
1492-1643 |
Sentence |
denotes |
We anticipate immediate wet-lab experiments and clinical trials in support of this computational study that might help to inhibit the SARS-CoV-2 virus. |