| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T133 |
0-142 |
Sentence |
denotes |
To understand the mode of interaction naltrexone in the binding interface of RBD-ACE2 complex, molecular docking was performed using AutoDock. |
| T134 |
143-220 |
Sentence |
denotes |
The docking scores of the top ten complexes have been summarized in Table S1. |
| T135 |
221-363 |
Sentence |
denotes |
As evidenced by the top-ranked conformation (as shown in Figure 2), the naltrexone prefers to bind in the cavity formed RBD and ACE2 receptor. |
| T136 |
364-528 |
Sentence |
denotes |
Tyr505 and Glu406 of RBD formed two crucial hydrogen bonds with the naltrexone with an atomic distance of 2.08 and 1.80, while, Arg403 formed electrostatic contact. |
| T137 |
529-654 |
Sentence |
denotes |
While the His34, Glu37, and Phe390 of ACE2 displayed several hydrophobic contacts (mostly pi-alkyl contacts) with naltrexone. |
