Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies

Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies

The global expansion of COVID-19 and the mutations of severe acute respiratory syndrome coronavirus necessitate quick development of treatment and vaccination. Because the androgen-responsive serine protease TMPRSS2 is involved in cleaving the SARS-CoV-2 spike protein allowing the virus to enter the...

पूर्ण विवरण

ग्रंथसूची विवरण
मुख्य लेखकों:	Abdulrahim A. Alzain, PhD, Fatima A. Elbadwi, Fatima O. Alsamani
स्वरूप:	लेख
भाषा:	English
प्रकाशित:	Elsevier 2022-01-01
श्रृंखला:	Informatics in Medicine Unlocked
विषय:	SARS-CoV-2 TMPRSS2 Fragment-based drug design Homology modeling Docking Molecular dynamics
ऑनलाइन पहुंच:	http://www.sciencedirect.com/science/article/pii/S2352914822000247

समान संसाधन

Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies
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Structural insights and inhibition mechanism of TMPRSS2 by experimentally known inhibitors Camostat mesylate, Nafamostat and Bromhexine hydrochloride to control SARS-coronavirus-2: A molecular modeling approach
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Initial study on TMPRSS2 p.Val160Met genetic variant in COVID-19 patients
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In Silico Molecular Study of Tryptophan Bitterness
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Impact TMPRSS2–ERG Molecular Subtype on Prostate Cancer Recurrence
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TMPRSS2 as a Key Player in Viral Pathogenesis: Influenza and Coronaviruses
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In silico molecular modeling and docking studies on the leishmanial tryparedoxin peroxidase
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Sputum ACE2, TMPRSS2 and FURIN gene expression in severe neutrophilic asthma
द्वारा: Nazanin Zounemat Kermani, और अन्य
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SFRP1 increases TMPRSS2-ERG expression promoting neoplastic features in prostate cancer in vitro and in vivo
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ACE2 and TMPRSS2 genetic polymorphisms as potential predictors of COVID−19 severity and outcome in females
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Publication trend of TMPRSS2 as SARS-CoV-2 receptor during the COVID-19 pandemic
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Expression of SARS-CoV-2 receptor ACE2 and the protease TMPRSS2 suggests susceptibility of the human embryo in the first trimester
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Optimization of East Java Propolis Extraction as Anti SARS-Cov-2 by Molecular Docking Study
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ACE2 and TMPRSS2 Immunolocalization and COVID-19-Related Thyroid Disorder
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Link of TMPRSS2 expression with tumor immunogenicity and response to immune checkpoint inhibitors in cancers
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Structure-Based Discovery of ABCG2 Inhibitors: A Homology Protein-Based Pharmacophore Modeling and Molecular Docking Approach
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Salivary ACE2 and TMPRSS2 link to periodontal status and metabolic parameters
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A Polymorphism in the TMPRSS2 Gene Increases the Risk of Death in Older Patients Hospitalized with COVID-19
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Molecular Characterization of TMPRSS2-ERG Gene Fusion in the NCI-H660 Prostate Cancer Cell Line: A New Perspective for an Old Model
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Hydrogen Sulfide Inhibits TMPRSS2 in Human Airway Epithelial Cells: Implications for SARS-CoV-2 Infection
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Identification of Novel Hypothalamic MicroRNAs as Promising Therapeutics for SARS-CoV-2 by Regulating ACE2 and TMPRSS2 Expression: An In Silico Analysis
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TMPRSS2 gene, single nucleotide polymorphism rs8134378, single nucleotide polymorphism rs12329760.
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<it>TMPRSS2-ERG </it>-specific transcriptional modulation is associated with prostate cancer biomarkers and TGF-β signaling
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