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Protein modeling, molecular network and molecular dynamics study of newly sequenced interleukin-18 (IL-18) gene in Mus musculus

dc.contributor.authorYadav B.S.
dc.contributor.authorChaturvedi N.
dc.contributor.authorYadav P.K.
dc.contributor.authorMarina N.
dc.contributor.authorGanash M.
dc.contributor.authorBarreto G.E.
dc.contributor.authorAshraf G.M.
dc.contributor.authorAhmad K.
dc.contributor.authorBaig M.H.
dc.date.accessioned2020-09-02T22:30:35Z
dc.date.available2020-09-02T22:30:35Z
dc.date.issued2019
dc.identifier10.1002/jcp.28127
dc.identifier.citation234, 8, 14285-14295
dc.identifier.issn00219541
dc.identifier.urihttps://hdl.handle.net/20.500.12728/6639
dc.descriptionInterleukin-18 (IL-18) belongs to the superfamily of IL-1 protein and exerts a pleiotropic pro-inflammatory effect on the body. Generally, this protein is significantly involved in immune defense during infection in cells, but sometimes its anomalous activities produce some inflammatory diseases like rheumatoid arthritis and Crohn’s disease. In the present study, the IL-18 gene was isolated from mice and was subsequently cloned and sequenced. Further, the network analysis was carried out to explore the functional role of IL-18 protein in animals. The 3D protein structure of the IL-18 protein was generated and docked with appropriate 3-([3-cholamidopropyl]dimethylammonio)-1-propanesulfonate (CPS) ligand. Later the complex structure of the protein was subjected to molecular dynamics simulation (MDS) for 50 ns to determine the effect of ligand on protein. The network analysis explored the correlation of IL-18 protein with others proteins and their involvement in the different significant pathway to defend the cell from various diseases. As confirmed by MDS, the CPS:IL-18 complex was found to be highly stable. Our results further indicated that CPS ligand has the potential to act as a drug molecule, in future, for counteracting IL-18 activity. To date, no structural details were available for animal IL-18. Hence, the finding of this study will be useful in broadening the horizon towards a better understanding of the functional and structural aspects of IL-18 in animals. © 2019 Wiley Periodicals, Inc.
dc.language.isoen
dc.publisherWiley-Liss Inc.
dc.subjectcloning and sequencing
dc.subjectfunctional enrichment
dc.subjectinterleukin-18
dc.subjectmolecular dynamics
dc.subjectnetwork analysis
dc.subjectinterleukin 18
dc.subjectalkanesulfonic acid
dc.subjectinterleukin 18
dc.subjectligand
dc.subjectpropylsulfonic acid
dc.subjectprotein binding
dc.subjectArticle
dc.subjectgene sequence
dc.subjectmolecular cloning
dc.subjectmolecular dynamics
dc.subjectMus musculus
dc.subjectnonhuman
dc.subjectpriority journal
dc.subjectprotein function
dc.subjectprotein structure
dc.subjectamino acid sequence
dc.subjectanimal
dc.subjectchemistry
dc.subjectconformation
dc.subjectCrohn disease
dc.subjectgenetics
dc.subjecthuman
dc.subjectisolation and purification
dc.subjectmolecular dynamics
dc.subjectmouse
dc.subjectprotein conformation
dc.subjectrheumatoid arthritis
dc.subjectstructure activity relation
dc.subjectAlkanesulfonic Acids
dc.subjectAmino Acid Sequence
dc.subjectAnimals
dc.subjectArthritis, Rheumatoid
dc.subjectCloning, Molecular
dc.subjectCrohn Disease
dc.subjectHumans
dc.subjectInterleukin-18
dc.subjectLigands
dc.subjectMice
dc.subjectMolecular Conformation
dc.subjectMolecular Dynamics Simulation
dc.subjectProtein Binding
dc.subjectProtein Conformation
dc.subjectStructure-Activity Relationship
dc.titleProtein modeling, molecular network and molecular dynamics study of newly sequenced interleukin-18 (IL-18) gene in Mus musculus
dc.typeArticle


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