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Site-Targeted Drug Delivery Systems: Polymeric Carriers01:24

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Polymeric carriers enhance targeted drug delivery by increasing efficacy while minimizing off-target effects. These carriers comprise a biodegradable polymeric backbone integrated with functional elements that enable targeting, improve physicochemical properties, and regulate drug release.Targeting MechanismsThe targeting ability of polymeric carriers is mediated by a homing device, which is a molecular recognition component designed to selectively bind to specific tissues or cells. Monoclonal...
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Related Experiment Video

Updated: Mar 15, 2026

An Improved Protocol to Purify and Directly Mono-Biotinylate Recombinant BDNF in a Tube for Cellular Trafficking Studies in Neurons
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Molecular dynamics-driven and biophysically validated excipient selection for BDNF cubosome formulation.

Radhakrishnan Nithya1, Muthiah Ramanathan2

  • 1Department of Pharmaceutics, PSG College of Pharmacy, Coimbatore, Tamil Nadu, India.

Journal of Molecular Graphics & Modelling
|March 13, 2026
PubMed
Summary
This summary is machine-generated.

This study optimized Brain-Derived Neurotrophic Factor (BDNF) formulations using computational methods to select excipients. Phytantriol, Tween 80, and PEG 200 were identified to enhance BDNF stability and bioavailability for drug delivery.

Keywords:
Attenuated total reflectance–Fourier transform infrared (ATR-FTIR) spectroscopyBDNFCubosomesMolecular dynamics (MD) simulationProtein–excipient interactions

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Area of Science:

  • Biochemistry and Pharmaceutical Sciences
  • Computational Chemistry
  • Drug Delivery Systems

Background:

  • Therapeutic protein formulation, like Brain-Derived Neurotrophic Factor (BDNF), faces challenges due to instability and poor bioavailability, particularly for central nervous system delivery.
  • Developing stable and effective protein-based therapeutics requires careful selection of excipients to maintain protein integrity.

Purpose of the Study:

  • To develop an integrated computational-experimental workflow for rational excipient selection in BDNF-loaded cubosomal formulations.
  • To identify optimal lipids, stabilizers, and hydrotropes that enhance the stability and bioavailability of BDNF.

Main Methods:

  • Structure-based computational analyses including SiteMap, molecular docking, and molecular dynamics (MD) simulations to assess protein-excipient interactions.
  • Screening of various lipids, stabilizers, and hydrotropes for molecular compatibility with BDNF.
  • Experimental validation using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy to confirm protein secondary structure preservation.

Main Results:

  • Phytantriol demonstrated favorable polar and hydrophobic interactions with BDNF, identified as the optimal lipid.
  • Tween 80 and PEG 200 were selected as the preferred stabilizer and hydrotrope, respectively.
  • MD simulations indicated transient yet stabilizing protein-excipient contacts, preserving BDNF's conformational integrity. ATR-FTIR confirmed the preservation of BDNF's secondary structure.

Conclusions:

  • The study successfully demonstrated a predictive computational strategy for selecting excipients to optimize neurotrophin formulations.
  • The identified excipient combination (phytantriol, Tween 80, PEG 200) enhances the stability and conformational integrity of BDNF.
  • This approach provides valuable molecular-level insights into excipient-protein interactions, guiding the development of stable therapeutic protein delivery systems.