Selection of Novel DNA Aptamers against HPV16 Biomarker, E6: An In Silico Approach.

Bonke Phathekile¹, Darius Riziki Martin^2,3, Nicole Remaliah Samantha Sibuyi^2,4, Abram Madimabe Madiehe^2,3, Martin Opiyo Onani¹, Mervin Meyer²

¹Organometallics and Nanomaterials, Department of Chemical Sciences, University of the Western Cape, Bellville, Cape Town 7535, South Africa.

²Department of Science, Technology and Innovation/TIA Nanotechnology Platform, Department of Biotechnology, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville, Cape Town 7535, South Africa.

³Nanobiotechnology Research Group, Department of Biotechnology, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville, Cape Town 7535, South Africa.

⁴Health Platform, Advanced Materials Division, Mintek, Randburg, Gauteng 2194, South Africa.

PubMed PMC DOI PDF

Abstract

HPV16 E6 oncoprotein is a critical driver of cervical cancer, necessitating high-specificity diagnostic and therapeutic agents. This study presents an in silico selection of DNA aptamers targeting the HPV16 E6 oncoprotein through a pipeline of structure-based virtual screening and 250 ns Molecular Dynamics (MD) simulations, performed with GROMACS 2019 and the CHARMM36M. Using AutoDock VinaXB and H…

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