In silico studies of the interaction of the colon cancer receptor and RNA aptamer adsorbed on (1 0 1) facet ... View Full Text


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Article Info

DATE

2019-06-03

AUTHORS

Mohaddeseh Habibzadeh Mashatooki, Amirali Abbasi, Jaber Jahanbin Sardroodi

ABSTRACT

The epidermal growth factor receptor (EGFR) is a trans-membrane protein which belongs to the ErbB family of receptor tyrosine kinases (RTK). The peptide growth factors of the EGF-family of proteins activated these trans-membrane proteins by binding to them. In order to blocking these receptors and prevent over-expression in human carcinomas, we used a potential anticancer RNA aptamer. The RNA aptamer was delivered to the target receptor with the TiO2 nanosheet using the molecular dynamics simulation. The structural and energetic parameters were measure and analyzed in detail. The root mean square deviation and fluctuation and center of mass of components were calculated. Besides, the hydrogen bonds were considered to investigate the effect of water molecules. The van de Waals and electrostatics contributions depict the attractive force between RNA aptamer and the receptor. Our results suggest that for better interaction of RNA aptamer and receptor, first the RNA aptamer should release from the Nano carrier surface. More... »

PAGES

941-954

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s10450-019-00126-1

DOI

http://dx.doi.org/10.1007/s10450-019-00126-1

DIMENSIONS

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