ArticlePloS one2023
A computational approach to fighting type 1 diabetes by targeting 2C Coxsackie B virus protein with flavonoids.
Article in PloS one, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Promoting expertise knowledge sharing in paediatric virology: An update (Review).Experimental and therapeutic medicine · 2026Review
- Pangenome-GuidedPharmaceuticals (Basel, Switzerland) · 2026Article
- Design, synthesis and multitarget evaluation of cyclopropyl-appended thiohydantoin derivatives as dual cholinesterase and COX inhibitors with antioxidant activity: a combined experimental and computational study.Journal of computer-aided molecular design · 2026Article
- Synthetic Elaboration, DFT Profiling, and Molecular-Dynamics-Guided Computational Validation Toward Anti-Diabetic Therapeutics: Tailored Pyrimidine-Derived Pyrazole-Thiadiazole Hybrid Scaffolds.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Molecular Insights into Phage-Hydrogel Polymer Interactions Through Docking, Molecular Dynamics, and Machine Learning.Polymers · 2026Article
- Integrative bioinformatics approach to the mRNA vaccine development for the human papillomavirus using the capsid protein.Biology direct · 2026Article
- Bioinformatics-driven identification of pathogenic missense nsSNPs in the human proto-oncogene SRC and cancer susceptibility.Journal, genetic engineering & biotechnology · 2025Article
- Attenuation of cerebral ischemia-reperfusion induced neurotoxicity by telmisartan, ertugliflozin, and omaveloxolone through Nrf2/HO-1 pathway modulation: In vivo and in silico insights.Toxicology reports · 2025Article
- Targeting norovirus RdRp: A computational study on the inhibitory potential of ursolic acid and apigenin-7-O-glucoside.Journal of Taibah University Medical Sciences · 2025Article
- Article
- Analyzing molecular signatures in preeclampsia and fetal growth restriction: Identifying key genes, pathways, and therapeutic targets for preterm birth.Frontiers in molecular biosciences · 2024Article
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Authors and funding
8 authors.
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Abstract
Autoimmune diabetes, well-known as type 1 insulin-dependent diabetic mellitus (T1D). T1D is a prolonged condition marked by an inadequate supply of insulin. The lack is brought on by pancreatic cell death and results in hyperglycemia. The immune system, genetic predisposition, and environmental variables are just a few of the many elements that contribute significantly to the pathogenicity of T1D disease. In this study, we test flavonoids against Coxsackie virus protein to cope the type 1 diabetes. After protein target identification we perform molecular docking of flavonoids and selected target (1z8r). then performed the ADMET analysis and select the top compound the base of the docking score and the ADMET test analysis. Following that molecular dynamics simulation was performed up to 300 ns. Root means square deviation, root mean square fluctuation, secondary structure elements, and protein-ligand contacts were calculated as post-analysis of simulation. We further check the binding of the ligand with protein by performing MM-GBSA every 10 ns. Lead compound CID_5280445 was chosen as a possible medication based on analysis. The substance is non-toxic, meets the ADMET and BBB likeness requirements, and has the best interaction energy. This work will assist researchers in developing medicine and testing it as a treatment for Diabetes Mellitus Type 1 brought on by Coxsackie B4 viruses by giving them an understanding of chemicals against these viruses.
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