Work

In silico investigations of albumin-GLP-1 receptor agonist complexes for diabetes drug delivery applications

Year: 2025

Type: article

Abstract: This paper describes the specific conformational folding patterns and residues involved in stabilizing the Glucagon-like Peptide-1 Receptor Agonist (GLP-1 RA) peptide-albumin protein complex using molecular dynamic (MD) simulations. We quantified the binding energies, thermodynamics, conformational shifts and specific residue-interactions of the peptide-albumin complex. This study presents molecular-level findings on the relationship between these interactions and PEGylated hydrogel drug delivery systems, highlighting the potential translational applications of the in-silico model. Further research could lead to advancements in the design, development and characterization of such controlled release formulations and long-acting GLP-1 RA therapeutics. Moreover, this research suggests the possibility of harnessing MD simulations to design and develop biomaterial-based drug delivery devices for diabetes, among other disease indications.

Source: Computational and Structural Biotechnology Journal

DOI: 10.1016/j.csbj.2025.11.007

Authors: Gillian Murphy, David Cheung, Michael Fitzgerald, Abhay Pandit

Institutions: Ollscoil na Gaillimhe – University of Galway, Viatris

Language: English

Topic: Protein Interaction Studies and Fluorescence Analysis

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $3,230