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In-vitro and in-silico evaluation of rue herb for SARS-CoV-2 treatment
Maliha Khandoker Minu
, Md Enamul Kabir Talukder
, Ramzi A. Mothana
, Sk Injamamul Islam
, Abdullah R. Alanzi
, Sidgi Hasson
, Md Irfan Sadique
, Mohammed Arfat Raihan Chowdhury
, Md Shajid Khan
, Foysal Ahammad
*
, Farhan Mohammad
*
*
Corresponding author for this work
HBKU College of Science and Engineering
HBKU College of Health & Life Sciences
Jashore University of Science and Technology
King Saud University
Chulalongkorn University
Liverpool John Moores University
Carnegie Mellon University
Texas A&M University at Qatar
Hamad bin Khalifa University
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Keyphrases
In Silico Evaluation
100%
SARS-CoV-2 Treatment
100%
Rue Herb
100%
Spike Glycoprotein
80%
Amentoflavone
40%
Vitamin P
40%
Daphnoretin
40%
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)
40%
Agathisflavone
40%
COVID-19
20%
Associated Complications
20%
Membrane Fusion
20%
Behavioural Interactions
20%
SARS-CoV-2 Infection
20%
Screening Process
20%
Movement Patterns
20%
Binding Energy
20%
In Vitro Assay
20%
Fatality
20%
Potential Interaction
20%
Potential Inhibitors
20%
Inhibitory Properties
20%
Screening Approach
20%
Molecular Mechanics Generalized Born Surface Area (MM-GBSA)
20%
IC50 Value
20%
Hit Compound
20%
Functional Behavior
20%
Cytotoxic Concentration
20%
P-glycoprotein Inhibitor
20%
Functional Potential
20%
Toxicity Profile
20%
Herb Extract
20%
Pharmacokinetic Profile
20%
ADMET Analysis
20%
Viral Activity
20%
Natural Small Molecules
20%
Viral Spike
20%
Ruta Graveolens
20%
ACE2 Receptor
20%
Compound Stability
20%
CC50
20%
Betacoronavirus
20%
Therapeutic Interventions
20%
Potential Spike
20%
Pharmacogenetic Testing
20%
Molecular Docking Simulation
20%
Pharmacology, Toxicology and Pharmaceutical Science
SARS Coronavirus
100%
Ruta graveolens
100%
Glycoprotein
50%
Infection
33%
Daphnoretin
33%
Bioflavonoid
33%
Rutin
33%
Amentoflavone
33%
Virus
33%
Pandemic
16%
IC50
16%
Virtual Screening
16%
Fatality
16%
Receptor
16%
Molecular Docking Simulations
16%
Pharmacokinetics
16%
Virus Spike Protein
16%
Absorption-Distribution-Metabolism-Excretion Toxicity
16%
Betacoronavirus
16%