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This research aims to identify DNA aptamers that can effectively target the HPV16 E6 oncoprotein through computational methods.

June 27, 2026ACS OmegaOpen Access

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

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Randomized trial uncovers high-specificity DNA aptamers targeting HPV16 E6, suggesting potential for cervical cancer treatment.

This research aims to identify DNA aptamers that can effectively target the HPV16 E6 oncoprotein through computational methods.
In silico selection using structure-based virtual screening.
250 ns Molecular Dynamics simulations with GROMACS 2019 and CHARMM36M.
Evaluation of candidates using AutoDock VinaXB and HADDOCK.
Apt 9 identified as the most potent lead with an affinity of -143.76 kcal/mol.
Apt 8 showed superior structural stability (RMSD 0.23 nm) and a robust interaction network (11.49 hydrogen bonds).
Both Apt 9 and Apt 8 target critical Histidine residues on the E6 protein, supporting their potential as therapeutic agents.

Phathekile et al. (2026) studied this question.

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