Lucy Coleman

Lucy Coleman


Postgraduate Research Student

Academic and research departments

Department of Chemical and Process Engineering.

Biography

Research Interests

Biological Computational / In Silico modelling

Dermal absorption, disposition and metabolism of xenobiotics 

Her research title is: Multi-scale modelling of dermal absorption, disposition, systemic circulation and liver metabolism of xenobiotics.

Supervisor: Dr Tao Chen

My publications

Publications

Coleman Lucy, Chen Tao, Sorrell Ian, Lian Guoping, Glavin Stephen In Silico Simulation of Simultaneous Percutaneous Absorption and Xenobiotic Metabolism: Model Development and a Case Study on Aromatic Amines, In: Pharmaceutical research37241 Springer
To advance physiologically-based pharmacokinetic modelling of xenobiotic metabolism by integrating metabolic kinetics with percutaneous absorption. Kinetic rate equations were proposed to describe the metabolism of a network of reaction pathways following topical exposure and incorporated into the diffusion-partition equations of both xenobiotics and metabolites. The published ex vivo case study of aromatic amines was simulated. Diffusion and partition properties of xenobiotics and subsequent metabolites were determined using physiologically-based quantitative structure property relationships. Kinetic parameters of metabolic reactions were best fitted from published experimental data. For aromatic amines, the integrated transdermal permeation and metabolism model produced data closely matched by experimental results following limited parameter fitting of metabolism rate constants and vehicle:water partition coefficients. The simulation was able to produce dynamic concentration data for all the dermal layers, as well as the vehicle and receptor fluid. This mechanistic model advances the dermal in silico functionality. It provides improved quantitative spatial and temporal insight into exposure of xenobiotics, enabling the isolation of governing features of skin. It contributes to accurate modelling of concentrations of xenobiotics reaching systemic circulation and additional metabolite concentrations. This is vital for development of both pharmaceuticals and cosmetics.