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International Journal for Research Trends and Innovation
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Volume 3 | Issue 12

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Impact Factor : 4.87

Issue per Year : 12

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Paper Title: Emodin as an alternative to Pazopanib aided inhibition of tumor angiogenesis: an explicit molecular docking analysis
Authors Name: Taseem A. Mokhdomi , Shoiab Bukhari , Asif Amin , Qazi Danish , Sajad H. Wani
Unique Id: IJRTI1712003
Published In: Volume 2 Issue 12, December-2017
Abstract: Fibroblast growth factor receptor-2 (FGFR-2) primarily regulating mitogenesis and differentiation, is considered as a major prognostic biomarker as well as a therapeutic target in human solid tumors. Most of the therapeutic drugs have been designed to target its catalytic domain which inhibit tyrosine phosphorylation of its kinase domain and hence block its downstream signaling. In this study, we analyzed selected drug-leads from western himalayan chemiome for their ability to bind and selectively inhibit FGFR-2 activation. Structure based bioinformatics were employed to select lead compound(s) targeting catalytic domain of FGFR-2. Out of 120 compounds from selective western himalayan chemiome library, Emodin showed best binding-affinity with catalytic domain of FGFR-2 blocking ATP binding. The binding efficiency of Emodin was comparable to Pazopanib, FDA approved Tyrosine Kinase Inhibitor which is a potent and selective inhibitor of FGFR-2 currently in clinical trials. To further corroborate these findings, we evaluated binding efficiency of Emodin in 2 constitutively active mutants of FGFR-2 viz N549T and E565A. Emodin efficiently blocked ATP pocket in their respective catalytic domain comparable to Pazopanib. The results in this study thus not only project Emodin as a lead molecule to overcome FGFR-2 mediated tumor mitogenesis but also demonstrates its potential as a tyrosine kinase inhibitor to overcome tumor angiogenesis.
Keywords: FGFR-2; Tyrosine Kinase Inhibitors; Pazopanib; Emodin; Molecular Docking Simulation.
Cite Article: "Emodin as an alternative to Pazopanib aided inhibition of tumor angiogenesis: an explicit molecular docking analysis", International Journal of Science & Engineering Development Research (, ISSN:2455-2631, Vol.2, Issue 12, page no.14 - 17, December-2017, Available :
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Publication Details: Published Paper ID: IJRTI1712003
Registration ID:170589
Published In: Volume 2 Issue 12, December-2017
DOI (Digital Object Identifier):
ISSN Number: 2456 - 3315
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