Id |
Subject |
Object |
Predicate |
Lexical cue |
T624 |
0-122 |
Sentence |
denotes |
On the other hand, withanolide A displayed strong binding to SARS-CoV spike glycoprotein (Table 6; BE: −9.78 kcal/mol, Kd: |
T625 |
123-197 |
Sentence |
denotes |
67.23 nM), SARS-CoV-2 spike glycoprotein (Table 7; BE: −7.18 kcal/mol, Kd: |
T626 |
198-272 |
Sentence |
denotes |
5.48 µM), SARS-CoV 3CL-pro main protease (Table 9; BE: –8.93 kcal/mol, Kd: |
T627 |
273-355 |
Sentence |
denotes |
285.01 nM) and SARS-CoV-2 Nsp10/Nsp-16 complex (Table 11; BE: −10.38 kcal/mol, Kd: |
T628 |
356-366 |
Sentence |
denotes |
24.67 nM). |
T629 |
367-549 |
Sentence |
denotes |
Interestingly, withanolide A exhibited almost 1000× times stronger binding to SARS-CoV main protease as compared to standard reference drugs arbidol (Table 6; BE: −4.91 kcal/mol, Kd: |
T630 |
550-617 |
Sentence |
denotes |
251.65 µM) and hydroxychloroquine (Table 6; BE: −5.25 kcal/mol, Kd: |
T631 |
618-629 |
Sentence |
denotes |
142.18 µM). |
T632 |
630-813 |
Sentence |
denotes |
The same binding profile was observed for withanolide A with respect to SARS-CoV-2 spike glycoprotein as compared to standard reference drugs arbidol (Table 7; BE: −3.14 kcal/mol, Kd: |
T633 |
814-879 |
Sentence |
denotes |
4.99 mM) and hydroxychloroquine (Table 7; BE: −2.48 kcal/mol, Kd: |
T634 |
880-890 |
Sentence |
denotes |
15.11 mM). |
T635 |
891-1046 |
Sentence |
denotes |
Withanolide A also displayed a 1000× stronger binding to Nsp-10/Nsp-16 complex from SARS-CoV-2 in comparison to losartan (Table 11; BE: −6.49 kcal/mol, Kd: |
T636 |
1047-1114 |
Sentence |
denotes |
17.54 µM) and hydroxychloroquine (Table 11; BE: −4.93 kcal/mol, Kd: |
T637 |
1115-1125 |
Sentence |
denotes |
244.14 µM) |