Kaempferol inhibits the DNA Binding of Zeb1 by Targeting Asn13 in its Homeobox Binding domain: An in silico exploration
Asif Amin
, Taseem A Mokhdomi , Basit Amin , Umer Majeed , Zubair Wani
Epithelial-Mesenchymal Transition, Zeb1, Kaempferol, Molecular Docking Simulations.
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", IJSDR - International Journal of Scientific Development and Research (www.IJSDR.org), ISSN:2455-2631, Vol.2, Issue 9, page no.286 - 289, September 2017, Available :https://ijsdr.org/papers/IJSDR1711024.pdf
Volume 2
Issue 9,
September-2017
Pages : 286 - 289
Paper Reg. ID: IJSDR_170854
Published Paper Id: IJSDR1711024
Downloads: 000347215
Research Area: Biological Science
Country: Srinagar, JAMMU AND KASHMIR, India
ISSN: 2455-2631 | IMPACT FACTOR: 9.15 Calculated By Google Scholar | ESTD YEAR: 2016
An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 9.15 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator
Publisher: IJSDR(IJ Publication) Janvi Wave
