Keyword search (4,163 papers available)

"SARS-Cov-2" Keyword-tagged Publications:

Title Authors PubMed ID
1 Energy Measures as Biomarkers of SARS-CoV-2 Variants and Receptors Ghannoum Al Chawaf K; Lahmiri S; 41596038
JMSB
2 Emerging hazardous chemicals and biological pollutants in Canadian aquatic systems and remediation approaches: A comprehensive status report Adeola AO; Paramo L; Fuoco G; Naccache R; 39278485
CHEMBIOCHEM
3 Insomnia symptoms among older adults during the first year of the COVID-19 pandemic: A longitudinal study Gong K; Garneau J; Grenier S; Vasiliadis HM; Dang-Vu TT; Dialahy IZ; Gouin JP; 37380593
HKAP
4 Two Chemical Engineers Look at the COVID-19 Pandemic De Visscher A; Pinheiro PatrĂ­cio PC; 35942051
ENCS
5 Evaluating SARS-CoV-2 airborne quanta transmission and exposure risk in a mechanically ventilated multizone office building Yan S; Wang LL; Birnkrant MJ; Zhai J; Miller SL; 35602249
ENCS
6 Predicted coronavirus Nsp5 protease cleavage sites in the human proteome Scott BM; Lacasse V; Blom DG; Tonner PD; Blom NS; 35379171
ENCS
7 COVID-19-Related Concerns and Symptoms of Anxiety: Does Concern Play a Role in Predicting Severity and Risk? Benzouak T; Gunpat S; Briner EL; Thake J; Kisely S; Rao S; 34987892
PSYCHOLOGY
8 Removal of SARS-CoV-2 using UV+Filter in built environment: simulation/evaluation by utilizing validated numerical method Feng Z; Cao SJ; Haghighat F; 34367884
ENCS
9 Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19 Kaliamurthi S; Selvaraj G; Selvaraj C; Singh SK; Wei DQ; Peslherbe GH; 34209188
CHEMBIOCHEM
10 Exploring the Role of Glycans in the Interaction of SARS-CoV-2 RBD and Human Receptor ACE2 Nguyen K; Chakraborty S; Mansbach RA; Korber B; Gnanakaran S; 34067878
PHYSICS
11 Are the Allergic Reactions of COVID-19 Vaccines Caused by mRNA Constructs or Nanocarriers? Immunological Insights Selvaraj G; Kaliamurthi S; Peslherbe GH; Wei DQ; 34021862
CHEMBIOCHEM
12 Tools and Techniques for Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)/COVID-19 Detection Safiabadi Tali SH; LeBlanc JJ; Sadiq Z; Oyewunmi OD; Camargo C; Nikpour B; Armanfard N; Sagan SM; Jahanshahi-Anbuhi S; 33980687
IMAGING
13 Indoor airborne disinfection with electrostatic disinfector (ESD): Numerical simulations of ESD performance and reduction of computing time Feng Z; Cao SJ; Wang J; Kumar P; Haghighat F; 33994653
ENCS
14 Identifying potential drug targets and candidate drugs for COVID-19: biological networks and structural modeling approaches Selvaraj G; Kaliamurthi S; Peslherbe GH; Wei DQ; 33968364
CERMM
15 Identifying and addressing psychosocial determinants of adherence to physical distancing guidance during the COVID-19 pandemic - project protocol. Durand H, Bacon SL, Byrne M, Kenny E, Lavoie KL, McGuire BE, Mc Sharry J, Meade O, Mooney R, Noone C, O'Connor LL, O'Flaherty K, Molloy GJ 33490860
HKAP
16 Designing a hybrid reinforcement learning based algorithm with application in prediction of the COVID-19 pandemic in Quebec. Khalilpourazari S, Hashemi Doulabi H 33424076
ENCS
17 The COVID-19 pandemic: model-based evaluation of non-pharmaceutical interventions and prognoses. De Visscher A 32836820
ENCS

 

Title:Identifying potential drug targets and candidate drugs for COVID-19: biological networks and structural modeling approaches
Authors:Selvaraj GKaliamurthi SPeslherbe GHWei DQ
Link:https://pubmed.ncbi.nlm.nih.gov/33968364/
DOI:10.12688/f1000research.50850.3
Publication:F1000Research
Keywords:Biological network analysisCOVID-19ERBB4LimmaSARS-CoV-2Walktrap algorithmdrug targetsgrowth factor receptor bindingprotein-protein dockingsignal transduction pathwayswortmannin
PMID:33968364 Category: Date Added:2021-05-10
Dept Affiliation: CERMM
1 Centre for Research in Molecular Modeling, Concordia University, Montreal, Quebec, H4B 1R6, Canada.
2 Centre of Interdisciplinary Science-Computational Life Sciences, College of Chemistry and Chemical Engineering,, Henan University of Technology, Zhengzhou, Henan, 450001, China.
3 The State Key Laboratory of Microbial Metabolism, College of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, Shanghai, 200240, China.
4 IASIA (International Association of Scientists in the Interdisciplinary Areas), 125 Boul. de Bromont, Quebec, J2L 2K7, Canada.

Description:

ackground: Coronavirus (CoV) is an emerging human pathogen causing severe acute respiratory syndrome (SARS) around the world. Earlier identification of biomarkers for SARS can facilitate detection and reduce the mortality rate of the disease. Thus, by integrated network analysis and structural modeling approach, we aimed to explore the potential drug targets and the candidate drugs for coronavirus medicated SARS. Methods: Differentially expression (DE) analysis of CoV infected host genes (HGs) expression profiles was conducted by using the Limma. Highly integrated DE-CoV-HGs were selected to construct the protein-protein interaction (PPI) network. Results: Using the Walktrap algorithm highly interconnected modules include module 1 (202 nodes); module 2 (126 nodes) and module 3 (121 nodes) modules were retrieved from the PPI network. MYC, HDAC9, NCOA3, CEBPB, VEGFA, BCL3, SMAD3, SMURF1, KLHL12, CBL, ERBB4, and CRKL were identified as potential drug targets (PDTs), which are highly expressed in the human respiratory system after CoV infection. Functional terms growth factor receptor binding, c-type lectin receptor signaling, interleukin-1 mediated signaling, TAP dependent antigen processing and presentation of peptide antigen via MHC class I, stimulatory T cell receptor signaling, and innate immune response signaling pathways, signal transduction and cytokine immune signaling pathways were enriched in the modules. Protein-protein docking results demonstrated the strong binding affinity (-314.57 kcal/mol) of the ERBB4-3cLpro complex which was selected as a drug target. In addition, molecular dynamics simulations indicated the structural stability and flexibility of the ERBB4-3cLpro complex. Further, Wortmannin was proposed as a candidate drug to ERBB4 to control SARS-CoV-2 pathogenesis through inhibit receptor tyrosine kinase-dependent macropinocytosis, MAPK signaling, and NF-kb singling pathways that regulate host cell entry, replication, and modulation of the host immune system. Conclusion: We conclude that CoV drug target "ERBB4" and candidate drug "Wortmannin" provide insights on the possible personalized therapeutics for emerging COVID-19.





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