Theoretical prediction of hematin anhydride EPR properties

Hemozoin is a crystal formed by the Malaria parasite to detoxify heme released during hemoglobin digestion. Although inhibiting Hemozoin formation has been used as an action mechanism for very potent anti-malarials, the underlying mechanism is still unknown, particularly the heme oxidation step. We believe that given the low oxygen environment in which malaria thrives, heme oxidation might happen at the crystal interface. Hemozoin’s semi-conductor behaviour would allow electrons to be transported through the crystal.
The objective of this PhD is to use a computational approach to simulate the electronic processes behind hemozoin formation.
The internship will focus on the unusual magnetic properties of hemozoin. Variations in heme substituent groups can lead in different behaviour in multiple frequency electron paramagnetic resonance spectroscopy, and establishing a model explaining these differences would set the groundwork to understanding hemozoin’s electronic properties.

Faculty Supervisor:

Scott Bohle

Student:

Partner:

Max Planck Institute für Kohlenforschung

Discipline:

Life Sciences

Sector:

Health and Related Sciences & Technology; Pharmaceuticals

University:

McGill University

Program: