PhD_Thesis-Amali Guruge.pdf (18.65 MB)
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Computational Drug Formulation

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posted on 10.12.2021, 02:19 by AMALI GALAPPATHTHI GURUGE
Many drugs emerging from current drug discovery pipelines are poorly-water soluble. This hinders delivering such drugs to the human body through the most convenient method; the oral route. Mixing a drug with oil components, known as “lipid-based formulation”, is one strategy to deliver poorly-water soluble drugs through the oral route. Understanding the fate of these formulations after oral administration is essential for the efficiency of the formulation. Yet, the complex environment in the gut limits performing experimental investigations. Thus, this thesis provides insight into predicting the fate of lipid-based drug formulations using computational molecular dynamics simulations.


Campus location


Principal supervisor

David Chalmers

Additional supervisor 1

Colin Pouton

Additional supervisor 2

Dallas Warren

Year of Award


Department, School or Centre

Medicinal Chemistry

Additional Institution or Organisation

Lonza Pharma Sciences, France


Doctor of Philosophy

Degree Type



Faculty of Pharmacy and Pharmaceutical Sciences

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