Keyword search (4,163 papers available)

"Kaliamurthi S" Authored Publications:

Title Authors PubMed ID
1 Editorial: Data-driven vaccine design for microbial-associated diseases Selvaraj G; Kaliamurthi S; Wei D; 41624882
CHEMBIOCHEM
2 Insights into dietary phytochemicals targeting Parkinson's disease key genes and pathways: A network pharmacology approach Sasikumar DSN; Thiruselvam P; Sundararajan V; Ravindran R; Gunasekaran S; Madathil D; Kaliamurthi S; Peslherbe GH; Selvaraj G; Sudhakaran SL; 38460310
CHEMBIOCHEM
3 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
4 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
5 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
6 Circulating miR-1246 Targeting UBE2C, TNNI3, TRAIP, UCHL1 Genes and Key Pathways as a Potential Biomarker for Lung Adenocarcinoma: Integrated Biological Network Analysis Huang S; Wei YK; Kaliamurthi S; Cao Y; Nangraj AS; Sui X; Chu D; Wang H; Wei DQ; Peslherbe GH; Selvaraj G; Shi J; 33050659
CHEMBIOCHEM

 

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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