Id |
Subject |
Object |
Predicate |
Lexical cue |
T49 |
0-7 |
Sentence |
denotes |
Methods |
T50 |
9-48 |
Sentence |
denotes |
ACE2 interaction network and hypothesis |
T51 |
49-111 |
Sentence |
denotes |
ACE2 is the proposed attachment site for SARS-CoV-2 in humans. |
T52 |
112-265 |
Sentence |
denotes |
Protein interaction studies were conducted around this protein to understand how the attachment of virus with ACE2 affects the pathology in human system. |
T53 |
266-425 |
Sentence |
denotes |
Computational protein-interaction analysis provides the knowledge about the indirect and probable interactions which might be occurring with the query protein. |
T54 |
426-527 |
Sentence |
denotes |
This is a very useful approach for predicting the new interactions of proteins in the in-vivo system. |
T55 |
528-611 |
Sentence |
denotes |
Cytoscape v3.7.2 (Shannon et al., 2003) was used to design the interaction network. |
T56 |
612-733 |
Sentence |
denotes |
BiNGO plugin was used for the analysis and prediction of overrepresented pathways in master network (Maere et al., 2005). |
T57 |
734-850 |
Sentence |
denotes |
Overrepresented pathways are the set of pathways which are collectively taken-up by the set of proteins under study. |
T58 |
851-918 |
Sentence |
denotes |
This helps in understanding the final fate of protein-interactions. |
T59 |
920-965 |
Sentence |
denotes |
Pharmaco-networking of N. sativa constituents |
T60 |
966-1041 |
Sentence |
denotes |
Literature mining was done to find the different constituents of N. sativa. |
T61 |
1042-1148 |
Sentence |
denotes |
Their PubChem IDs (Kim, et al.) were retrieved, and constituents (ligands) were downloaded in .SDF format. |
T62 |
1149-1247 |
Sentence |
denotes |
QikProp v6.3 (rel 13) was used to perform computational ADME analysis (Schrödinger Release 2020-1: |
T63 |
1248-1295 |
Sentence |
denotes |
QikProp, Schrödinger, LLC, New York, NY, 2020). |
T64 |
1296-1363 |
Sentence |
denotes |
ADME stands for Absorption, Distribution, Metabolism and Excretion. |
T65 |
1364-1426 |
Sentence |
denotes |
It was performed to predict the druggability of the compounds. |
T66 |
1427-1568 |
Sentence |
denotes |
Further, receptors were predicted for constituents of N. sativa in human system by using Swiss target prediction tool (Gfeller et al., 2014). |
T67 |
1569-1665 |
Sentence |
denotes |
These receptors were additionally used to analyse their mode of action via interaction analysis. |
T68 |
1667-1682 |
Sentence |
denotes |
Docking studies |
T69 |
1683-1778 |
Sentence |
denotes |
ACE2 was downloaded from PDB database in Maestro v12.3 environment (Schrödinger Release 2020-1: |
T70 |
1779-1860 |
Sentence |
denotes |
Maestro, Schrödinger, LLC, New York, NY, 2020) and prepared for docking analysis. |
T71 |
1861-1950 |
Sentence |
denotes |
All the ligands of N. sativa were processed by using LigPrep (Schrödinger Release 2020-1: |
T72 |
1951-2041 |
Sentence |
denotes |
LigPrep, Schrödinger, LLC, New York, NY, 2020) to generate all the possible stereoisomers. |
T73 |
2042-2125 |
Sentence |
denotes |
Extra-Precision (XP) docking was performed using Glide (Schrödinger Release 2020-1: |
T74 |
2126-2171 |
Sentence |
denotes |
Glide, Schrödinger, LLC, New York, NY, 2020). |
T75 |
2172-2283 |
Sentence |
denotes |
Docking analysis was performed to analyse the best binding ligand from N. sativa constituents to ACE2 receptor. |