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An interdisciplinary approach involving Bayesian calculations, in vitro experiments on cell lines exhibiting oxygen-glucose deprivation and molecular docking and simulations was employed to investigate the cytoprotective effect of Naringin, a flavonoid derivative present in numerous foods such as citrus fruits, grape juice and rasam. From the Bayesian calculations, CDK1 kinase was identified as one of the potential targets to which Naringin binds. Docking calculations and molecular dynamics showed that the Naringin bound to the ATP-binding cavity of CDK1 stably, and substantially affected the solvent accessibility of the residues of ATP-binding cavity.
Neurons, FOS: Computer and information sciences, CDK1, Cell Survival, Bioinformatics, Functional food, Bayes Theorem, Oxygen-glucose deprivation, Neuron, CTX-TNA2, Antioxidants, Molecular Docking Simulation, N2a, Mice, Bayes' theorem, Glucose, Neuroprotective Agents, Flavanones, Dietary Supplements, Molecular docking, Animals, Reactive Oxygen Species, Astrocyte, Ischemic Stroke
Neurons, FOS: Computer and information sciences, CDK1, Cell Survival, Bioinformatics, Functional food, Bayes Theorem, Oxygen-glucose deprivation, Neuron, CTX-TNA2, Antioxidants, Molecular Docking Simulation, N2a, Mice, Bayes' theorem, Glucose, Neuroprotective Agents, Flavanones, Dietary Supplements, Molecular docking, Animals, Reactive Oxygen Species, Astrocyte, Ischemic Stroke
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