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Identification and Comparative Molecular Docking Analysis of 6, 7, 8, 9-Tetrahydro-2H-11-oxa-2, 4, 10-triaza-benzo[B] fluoren-1-one (RBMS-01) Bounds with DPP4 for Anti-Hyperglycemic Activities

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1TitleTitle of DocumentIdentification and Comparative Molecular Docking Analysis of 6, 7, 8, 9-Tetrahydro-2H-11-oxa-2, 4, 10-triaza-benzo[B] fluoren-1-one (RBMS-01) Bounds with DPP4 for Anti-Hyperglycemic Activities
2CreatorAuthor's name, affiliation, country R. BALAJEE* and M. S. DHANARAJAN
*Sathyabama University, Chennai 600 119, India
Jaya College of Arts and Science, Thiruninravur- 602024, India
3SubjectDicipline(s) Chemical Science
3SubjectKeywords Docking, Synthetic molecule, DPP4, Quinoline, Pharmacophore analysis, GLP1, GIP
4DescriptionAbstract RBMS-01, a quinoline derivative is a novel dipeptidyl peptidase (DPP4) inhibitor was reported. We have identified this DPP-IV inhibitor in silico as an anti-diabetic agent, the mechanism reveals that the quinoline derivative increases the DPP4 function by degrading GLP-1 activity. Further, the study revealed by replacing the quinoline substitution on the various compounds in a more polar group, these compound shows not only enhancing the binding and functional activity of DPP4, also significantly shows the hERG inhibitory activities. Here, it reveals that the library of compounds constructed based on heterocyclic ring and performed docking using GLIDE, in an order with inhibition scores and compared with already existing drugs. An active site of these compounds was determined termed as the lead molecule, the molecule formula is, 6,7,8,9-Tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one, (RBMS-01) emerged as a potent, DPP4 inhibitor that displayed. The pharmacophoric analysis also shows that the novel inhibitor have better activity than the other inhibitors.
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/cst2012.166
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  1 , Number  (2), (2012)
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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