INTERNATIONAL JOURNAL OF SCIENTIFIC DEVELOPMENT AND RESEARCH International Peer Reviewed & Refereed Journals, Open Access Journal ISSN Approved Journal No: 2455-2631 | Impact factor: 8.15 | ESTD Year: 2016
open access , Peer-reviewed, and Refereed Journals, Impact factor 8.15
Kaempferol inhibits the DNA Binding of Zeb1 by Targeting Asn13 in its Homeobox Binding domain: An in silico exploration
Authors Name:
Asif Amin
, Taseem A Mokhdomi , Basit Amin , Umer Majeed , Zubair Wani
Unique Id:
IJSDR1711024
Published In:
Volume 2 Issue 9, September-2017
Abstract:
Epithelial-Mesenchymal Transition (EMT) is a cell biological program that aids in the conversion of epithelial cells to mesenchymal phenotype normally observed during embryonic development but also represents a characteristic feature of metastatic cells. The phenotypic switch observed during EMT is controlled by a group of transcription factors called EMT TF’s that include Zeb1, Snail, Slug and Twist which are activated through an array of signaling pathways. These EMT-TF’s constitute significant pharmacological targets for developing effective therapeutic agents to ablate EMT and thus malignant progression in tumors. In this context we used structure based drug designing approach in the present study to target the homeobox binding domain of Zeb1 by a bioactive phytocompound, Kaempferol. The interaction between Zeb1 and Kaempferol was studied using an in silico approach called molecular docking simulations. AutoDock tool was used for molecular docking simulations and it was observed that Kaempferol forms a single non-covalent interactions with homeobox binding domain of Zeb1. The best binding pose based on ∆G was used for further analysis. The Kaempferol-Zeb1 complex was observed to have a binding energy of -5.34 k/cal/mol and it forms a conventional hydrogen bond with ASN13. These data thus point at the inhibition of DNA binding of Zeb1 by Kaempferol as a potential mechanism of limiting EMT but warrants further in vitro and in vivo investigations.
"Kaempferol inhibits the DNA Binding of Zeb1 by Targeting Asn13 in its Homeobox Binding domain: An in silico exploration", International Journal of Science & Engineering Development Research (www.ijsdr.org), ISSN:2455-2631, Vol.2, Issue 9, page no.286 - 289, September 2017, Available :http://www.ijsdr.org/papers/IJSDR1711024.pdf
Downloads:
000336256
Publication Details:
Published Paper ID: IJSDR1711024
Registration ID:170854
Published In: Volume 2 Issue 9, September-2017
DOI (Digital Object Identifier):
Page No: 286 - 289
Publisher: IJSDR | www.ijsdr.org
ISSN Number: 2455-2631
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