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September 10, 2025The Journal of Physical Chemistry B

Molecular Insights into the Bio-oligomer Complexation with siRNA toward Therapeutic Applications

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Authors

DYDesh Deepak YadavDBDebdip BhandaryPPPradip Paik

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Overview

Molecular dynamics simulations reveal binding mechanisms of siRNA with bio-oligomers, highlighting potential for targeted delivery applications.

Key Points

  • Stable siRNA-bio-oligomer complexes formed within 20 ns, driven by hydrogen bonding interactions.
  • The siRNA-pentamer complex showed the greatest compaction and stability, enhancing therapeutic potential.
  • Binding followed Langmuir first-order adsorption kinetics with varying oligomer attachment counts.
  • Molecular dynamics analysis identified key structural and dynamical parameters influencing siRNA complexation.

Cite This Study

Yadav et al. (2025) studied this question.

synapsesocial.com/papers/68c1a25a54b1d3bfb60dd36fhttps://doi.org/10.1021/acs.jpcb.5c03439
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