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Comparative Modeling of Gingival Protein and Docking Studies with Natural Flavonoid Inhibitors

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1TitleTitle of DocumentComparative Modeling of Gingival Protein and Docking Studies with Natural Flavonoid Inhibitors
2CreatorAuthor's name, affiliation, country ABHIGNA P1, JAYASREE D2 and SHRAVAN KUMAR GUNDA1
1Bioinformatics Division, Osmania University, Hyderabad, Telangana, India
2University College of Science, Saifabad, Osmania University, Hyderabad, Telangana, India
3SubjectDicipline(s) Chemical Science
3SubjectKeywords Homology modeling, Periodontal disease, Gingivalcrevicular fluid, Autodock
4DescriptionAbstract The study of protein structure information provides fundamental aspects into most biochemical functions and consequently into the cause of diseases and possible treatment. Most of the protein structures were not solved experimentally, for this it requires x-ray crystallography, NMR and electron microscopy. Hence, in silico protein structure prediction methods are useful to generate a protein structure. Molecular modeling of proteins are rapidly growing field. The present study deals with homology modeling of B4DJI1 (L-lactate dehydrogenase) protein of gingival crevicular fluid (Gingivitis) by using Modeller 9.15. The model shows that 91.1% of amino acid residues in most favored region. The predicted model was then used to perform molecular docking simulations with natural flavonoid derivatives to assess their ability. The ligand binding residueswere found to be similar to the predicted active site residues
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier DOI:10.7598/cst2016.1226
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  5 , Number  (2), (2016)
12LanuguageEnglish=en en
13RelationSupp.files
14Coverage -
15CopyrightCopyright and permissions
Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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