IN SILICO INVESTIGATION OF PHYTOCONSTITUENTS FROM VARIOUS PLANTS AGAINST NEUROINFLAMMATORY MARKERS AS POTENT THERAPEUTIC TARGETS
Abstract
Abstract
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Objective: Neuroinflammation is inflammation of the brain and brain tissue. Activation of glial cells (Microgila and astrocytes) takes place during neuroinflammation, due to which a number of inflammatory mediator release in the brain. The objective of the current study is to investigate the anti-neuroinflammatory activity of the phytoconstituents against various inflammatory mediators.
Methods: The preliminary screening of plants was done by Lipinski's rule of five. Inflammatory mediators (COX-1, COX-2, TNF-a, IL-1b, iNOS and  nNOS) protein sequence was retrieved from STRING database and modeling of it through SWISS MODEL. And ligands ID was retrieved from ZINC database and its MOL2 format was downloaded for further processing. Docking study of phytoconstituents with ligands were performed by iGEMDOCK. By using ADMET, Absorption, distribution, metabolism, excretion and toxicity properties were predicted.
Results: Sissotrin out of the various phytocomponents is the most active component having high binding affinity with all the genes.
Conclusion: Sissotrin may be a good inhibitor for neuroinflammatory disorders.
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References
References
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