Molecular Dynamics Simulation of the Permeation of Lipid- Conjugated Peptides through the Stratum Corneum
Access Status
Open access
Date
2021Supervisor
Ricardo Mancera
Type
Thesis
Award
PhD
Metadata
Show full item recordFaculty
Health Sciences
School
School of Pharmacy and Biomedical Sciences
Collection
Abstract
This thesis presents a significant advance in selection of drug candidates for transdermal drug delivery. The methodology uses molecular dynamics simulations to understand the translocation of drug candidates across a model of the skin barrier, in atomistic detail. With this, researchers can predict the translocation rate and efficiently shortlist the drug candidates before conducting costly laboratory-based trials. More importantly, predictions are made with high confidence due to the clarification of the molecular mechanism of translocation.
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