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Aloin A inhibits SARS CoV-2 replication by targeting its binding with ACE2 - evidence from modeling-supported molecular dynamics simulation
Hani A. Alhadrami
, Ahmed M. Sayed
*
, Hossam M. Hassan
,
Mostafa E. Rateb
*
*
Corresponding author for this work
School of Computing, Engineering and Physical Sciences
Research output
:
Contribution to journal
›
Article
›
peer-review
2
Citations (Scopus)
20
Downloads (Pure)
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Dive into the research topics of 'Aloin A inhibits SARS CoV-2 replication by targeting its binding with ACE2 - evidence from modeling-supported molecular dynamics simulation'. Together they form a unique fingerprint.
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Keyphrases
Molecular Dynamics Simulation
100%
SARS-CoV-2 Replication
100%
Angiotensin-converting Enzyme 2 (ACE2)
100%
Aloin
100%
IC50
28%
COVID-19
28%
RBD-ACE2 Interaction
28%
Dynamic Simulation
14%
Further Development
14%
Mechanism of Action
14%
Mode of Action
14%
Published Results
14%
Moderate Activity
14%
Virtual Screening
14%
Low Permeability
14%
Anti-SARS-CoV-2
14%
Mpro
14%
SARS-CoV-2 Main Protease
14%
Protease Inhibitory Activity
14%
Inhibitory Efficacy
14%
Destabilizer
14%
In Vitro Testing
14%
Physics-based Simulation
14%
Vero E6 Cells
14%
Virtual Physics
14%
PLpro
14%
Pharmacology, Toxicology and Pharmaceutical Science
SARS Coronavirus
100%
Aloin
100%
IC50
28%
Proteinase
28%
Virtual Screening
14%
Chemistry
Aloin A
100%
Molecular dynamics simulation
100%
IC50
33%
Virtual Screening
16%
Aloin
16%