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Molecular docking approach for anti-sinusitic activity of pyrrolo[1,2-a]pyrazine-1,4-dionehexahydro-3-(phenyImethyl) - extracted from Streptomyces sp. VITPK9
M. Manimaran, P. Sanjenbam,
Published in Scientific Publishers
2015
Volume: 92
   
Issue: 4
Pages: 570 - 572
Abstract
Sinusitis is prevalent in children and causes upper respiratory tract inflammation. The aim of the present study was to study the interaction of pyrrolo[1,2-a]pyrazine-1 ,4-dione hcxahydro-3-(phenylmethyl) - (PPDHP) extracted from Streptomyces sp.VHTK9 (ligand) with selected targets, chcmokines involved in the pathogenesis of sinusitis. Three chemokines, Interlcukin 1 (1T4Q), Interleukin 6 (1IL6) and Interleukin 8 (3IL.8) were chosen as target proteins. Docking was done using PatchDock and the results were analyzed using PyMOL 1.3. The ligand showed least binding energies of -187.98 kcal/mol with 3IL8, -104.08 kcal/mol with 1IL6 and -76.51 kcal/mol with 1T4Q. Interleukin 8, the main chemokine involved in the pathogenesis of sinusitis was found to have strong binding with the ligand among the three chemokines studied. Ours is the first report on the interaction of PPDHP interleukins involved in sinusitis. The results of our study suggest that the compound PPDHP could be a potential agent to target the chemokines that are involved in sinusitis. © 2015 Scientific Publishers. All Rights Reserved.
About the journal
JournalJournal of the Indian Chemical Society
PublisherScientific Publishers
ISSN00194522