Id |
Subject |
Object |
Predicate |
Lexical cue |
T7 |
0-137 |
Sentence |
denotes |
Coronaviruses are etiological agents of extreme human and animal infection resulting in abnormalities primarily in the respiratory tract. |
T8 |
138-276 |
Sentence |
denotes |
Presently, there is no defined COVID-19 intervention and clinical trials of prospective therapeutic agents are still in the nascent stage. |
T9 |
277-357 |
Sentence |
denotes |
Withania somnifera (L.) Dunal (WS), is an important medicinal plant in Ayurveda. |
T10 |
358-544 |
Sentence |
denotes |
The present study aimed to evaluate the antiviral potential of selected WS phytoconstituents against the novel SARS-CoV-2 target proteins and human ACE2 receptor using in silico methods. |
T11 |
545-700 |
Sentence |
denotes |
Most of the phytoconstituents displayed good absorption and transport kinetics and were also found to display no associated mutagenic or adverse effect(s). |
T12 |
701-912 |
Sentence |
denotes |
Molecular docking analyses revealed that most of the WS phytoconstituents exhibited potent binding to human ACE2 receptor, SAR-CoV and SARS-CoV-2 spike glycoproteins as well as the two main SARS-CoV-2 proteases. |
T13 |
913-1007 |
Sentence |
denotes |
Most of the phytoconstituents were predicted to undergo Phase-I metabolism prior to excretion. |
T14 |
1008-1124 |
Sentence |
denotes |
All phytoconstituents had favorable bioactivity scores with respect to various receptor proteins and target enzymes. |
T15 |
1125-1272 |
Sentence |
denotes |
SAR analysis revealed that the number of oxygen atoms in the withanolide backbone and structural rearrangements were crucial for effective binding. |
T16 |
1273-1526 |
Sentence |
denotes |
Molecular simulation analyses of SARS-CoV-2 spike protein and papain-like protease with Withanolides A and B, respectively, displayed a stability profile at 300 K and constant RMSDs of protein side chains and Cα atoms throughout the simulation run time. |
T17 |
1527-1747 |
Sentence |
denotes |
In a nutshell, WS phytoconstituents warrant further investigations in vitro and in vivo to unravel their molecular mechanism(s) and modes of action for their future development as novel antiviral agents against COVID-19. |