![Professor Megan O'Mara](/sites/default/files/profiles/2137.jpeg)
Overview
Background
Megan O’Mara is a Professor and Group Leader at the Australian Institute for Bioengineering and Nanotechnology (AIBN), UQ. Her group uses multiscale modelling techniques to understand how changes in the biochemical environment of the cell membranes alters membrane properties and modulates the function of membrane proteins. She has research interests in multidrug resistance, computational drug design and delivery, biopolymers, and personalized medicine. Megan completed her PhD in biophysics at the Australian National University in 2005 before moving to the University of Calgary, Canada, to take up a Canadian Institutes of Health Research Postdoctoral Fellowship. In 2009, she returned to Australia to join University of Queensland’s School of Chemistry and Molecular Biosciences as a UQ Postdoctoral Fellow, before commencing an ARC DECRA in 2012 where she continued her computational work on membrane protein dynamics. In 2015, Megan joined the Research School of Chemistry, Australian National University in 2015 as Rita Cornforth Fellow and Senior Lecturer. In 2019 she was promoted to Associate Professor and was Associate Director (Education) of the Research School of Chemistry ANU in 2019-2021. In April 2022 she relocated to AIBN.
Availability
- Professor Megan O'Mara is:
- Available for supervision
- Media expert
Fields of research
Qualifications
- Bachelor, University of Canberra
- Bachelor of Physical Sciences, Australian National University
- Doctor of Philosophy of Physical Sciences, Australian National University
- Associate Fellow, Australian National University, Australian National University
Research interests
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computational drug design
computational drug design, structure based drug design, structure activity relationships, computational fragment based drug design
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membrane biophysics
computational cell membrane biophysics, computational lipidomics, cell membrane properties in health, disease and senescence
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multudrug resistance
antimicrobial resistance, cancer chemotherapy resistance
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polymer simulations
biopolymers, self assembly, polymer properties
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lipid delivery systems
targeted lipid delivery systems, computational analysis, lipid formulations, LNP loading, computational simulations
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computational structural biology
membrane protein structure-function, computational biology, protein structure prediction
Research impacts
My research uses computational techniques and simulations to understand how the chemistry of biological and bioinspired systems influence their physical properties. My goal is to understand how biomolecules self-assemble and self-regulate in living cells. My work allows the rational design of new pharmaceuticals, drug and vaccine delivery systems and biocompatable materials, as well as understanding fundamental problems such as antibiotic resistance. My students gain skills in data science, computational chemistry, computational biology, high performance computing, rational drug design and research data management that are directly transferable to industry, government and policy development, as well as research. I collaborate broadly across UQ, Australia and internationally with researchers and industry.
Works
Search Professor Megan O'Mara’s works on UQ eSpace
2022
Journal Article
Dynamics of the Acinetobacter baumannii inner membrane under exogenous polyunsaturated fatty acid stress
MacDermott-Opeskin, Hugo I., Panizza, Alessandra, Eijkelkamp, Bart A. and O'Mara, Megan L. (2022). Dynamics of the Acinetobacter baumannii inner membrane under exogenous polyunsaturated fatty acid stress. Biochimica et Biophysica Acta. Biomembranes, 1864 (7) 183908, 183908. doi: 10.1016/j.bbamem.2022.183908
2022
Journal Article
PsiRESP: calculating RESP charges with Psi4
Wang, Lily and O’Mara, Megan L. (2022). PsiRESP: calculating RESP charges with Psi4. Journal of Open Source Software, 7 (73), 4100. doi: 10.21105/joss.04100
2022
Journal Article
Loss, gain and altered function of GlyR α2 subunit mutations in neurodevelopmental disorders
Chen, Xiumin, Wilson, Katie A., Schaefer, Natascha, De Hayr, Lachlan, Windsor, Mark, Scalais, Emmanuel, van Rijckevorsel, Germaine, Stouffs, Katrien, Villmann, Carmen, O’Mara, Megan L., Lynch, Joseph W. and Harvey, Robert J. (2022). Loss, gain and altered function of GlyR α2 subunit mutations in neurodevelopmental disorders. Frontiers in Molecular Neuroscience, 15 886729. doi: 10.3389/fnmol.2022.886729
2022
Journal Article
Hydroxy groups enhance [2]rotaxane anion binding selectivity
Goodwin, Rosemary J., Docker, Andrew, MacDermott-Opeskin, Hugo, Aitken, Heather M., O'Mara, Megan L., Beer, Paul D. and White, Nicholas G. (2022). Hydroxy groups enhance [2]rotaxane anion binding selectivity. Chemistry-A European Journal, 28 (28) e202200389, e202200389. doi: 10.1002/chem.202200389
2022
Journal Article
Heteroleptic tripalladium(II) cages
Findlay, James A., Patil, Komal M., Gardiner, Michael G., MacDermott-Opeskin, Hugo, O'Mara, Megan L., Kruger, Paul E. and Preston, Dan (2022). Heteroleptic tripalladium(II) cages. Chemistry: An Asian Journal, 17 (6) e202200093. doi: 10.1002/asia.202200093
2022
Journal Article
Polymer-solvent interactions as a tool to engineer material properties
Aitken, Heather M., Jiang, Zhen, Hampton, Isaac, O'Mara, Megan L. and Connal, Luke A. (2022). Polymer-solvent interactions as a tool to engineer material properties. Molecular Systems Design and Engineering, 7 (7), 746-754. doi: 10.1039/d1me00111f
2022
Journal Article
Lipid-mediated antimicrobial resistance: a phantom menace or a new hope?
MacDermott-Opeskin, Hugo I., Gupta, Vrinda and O’Mara, Megan L. (2022). Lipid-mediated antimicrobial resistance: a phantom menace or a new hope?. Biophysical Reviews, 14 (1), 145-162. doi: 10.1007/s12551-021-00912-8
2022
Journal Article
Pore structure controls stability and molecular flux in engineered protein cages
Adamson, Lachlan S. R., Tasneem, Nuren, Andreas, Michael P., Close, William, Jenner, Eric N., Szyszka, Taylor N., Young, Reginald, Cheah, Li Chen, Norman, Alexander, MacDermott-Opeskin, Hugo I., O’Mara, Megan L., Sainsbury, Frank, Giessen, Tobias W. and Lau, Yu Heng (2022). Pore structure controls stability and molecular flux in engineered protein cages. Science Advances, 8 (5) eabl7346, eabl7346. doi: 10.1126/sciadv.abl7346
2022
Journal Article
Simple synthetic route to a self-assembling enzyme-inspired transesterification catalysts
Kumar, Ashwani, Nothling, Mitchell David, Aitken, Heather M., Xiao, Zeyun, Lam, Mathew, Bell, Craig, O'Mara, Megan and Connal, Luke Andrew (2022). Simple synthetic route to a self-assembling enzyme-inspired transesterification catalysts. Catalysis Science and Technology, 12 (22), 6655-6659. doi: 10.1039/d2cy00744d
2021
Journal Article
Site of cholesterol oxidation impacts its localization and domain formation in the neuronal plasma membrane
Wilson, Katie A., Wang, Lily and O’Mara, Megan L. (2021). Site of cholesterol oxidation impacts its localization and domain formation in the neuronal plasma membrane. ACS Chemical Neuroscience, 12 (20), 3873-3884. doi: 10.1021/acschemneuro.1c00395
2021
Journal Article
Effect of the force field on molecular dynamics simulations of the multidrug efflux protein P-glycoprotein
Wang, Lily and O’Mara, Megan L. (2021). Effect of the force field on molecular dynamics simulations of the multidrug efflux protein P-glycoprotein. Journal of Chemical Theory and Computation, 17 (10), 6491-6508. doi: 10.1021/acs.jctc.1c00414
2021
Journal Article
The structural basis of bacterial manganese import
Neville, Stephanie L., Sjoehamn, Jennie, Watts, Jacinta A., MacDermott-Opeskin, Hugo, Fairweather, Stephen J., Ganio, Katherine, Hulyer, Alex Carey, McGrath, Aaron P., Hayes, Andrew J., Malcolm, Tess R., Davies, Mark R., Nomura, Norimichi, Iwata, So, O'Mara, Megan L., Maher, Megan J. and McDevitt, Christopher A. (2021). The structural basis of bacterial manganese import. Science Advances, 7 (32) eabg3980. doi: 10.1126/sciadv.abg3980
2021
Journal Article
A unique sequence is essential for efficient multidrug efflux function of the MtrD protein of Neisseria gonorrhoeae
Chitsaz, Mohsen, Gupta, Vrinda, Harris, Benjamin, O'Mara, Megan L. and Brown, Melissa H. (2021). A unique sequence is essential for efficient multidrug efflux function of the MtrD protein of Neisseria gonorrhoeae. mBio, 12 (4) e01675-21. doi: 10.1128/mbio.01675-21
2021
Journal Article
The membrane composition defines the spatial organization and function of a major Acinetobacter baumannii drug efflux system
Zang, Maoge, MacDermott-Opeskin, Hugo, Adams, Felise G., Naidu, Varsha, Waters, Jack K., Carey, Ashley B., Ashenden, Alex, McLean, Kimberley T., Brazel, Erin B., Jiang, Jhih-Hang, Panizza, Alessandra, Trappetti, Claudia, Paton, James C., Peleg, Anton Y., Koper, Ingo, Paulsen, Ian T., Hassan, Karl A., O'Mara, Megan L. and Eijkelkamp, Bart A. (2021). The membrane composition defines the spatial organization and function of a major Acinetobacter baumannii drug efflux system. mBio, 12 (3) e01070-21. doi: 10.1128/mbio.01070-21
2021
Journal Article
Enzyme inspired polymer functionalized with an artificial catalytic triad
Bhaskaran, Ayana, Aitken, Heather M., Xiao, Zeyun, Blyth, Mitchell, Nothling, Mitchell D., Kamdar, Shashank, O'Mara, Megan L. and Connal, Luke A. (2021). Enzyme inspired polymer functionalized with an artificial catalytic triad. Polymer, 225 123735, 123735. doi: 10.1016/j.polymer.2021.123735
2021
Journal Article
Coordination of substrate binding and protonation in the N. gonorrhoeae MtrD efflux pump controls the functionally rotating transport mechanism
Fairweather, Stephen J., Gupta, Vrinda, Chitsaz, Mohsen, Booth, Lauren, Brown, Melissa H. and O'Mara, Megan L. (2021). Coordination of substrate binding and protonation in the N. gonorrhoeae MtrD efflux pump controls the functionally rotating transport mechanism. ACS Infectious Diseases, 7 (6), 1833-1847. doi: 10.1021/acsinfecdis.1c00149
2021
Journal Article
The role of plasmalogens, Forssman lipids, and sphingolipid hydroxylation in modulating the biophysical properties of the epithelial plasma membrane
Wilson, Katie A., Fairweather, Stephen J., MacDermott-Opeskin, Hugo I., Wang, Lily, Morris, Richard A. and O'Mara, Megan L. (2021). The role of plasmalogens, Forssman lipids, and sphingolipid hydroxylation in modulating the biophysical properties of the epithelial plasma membrane. The Journal of Chemical Physics, 154 (9) 095101, 095101. doi: 10.1063/5.0040887
2021
Journal Article
Investigating the lipid fingerprint of SLC6 neurotransmitter transporters: a comparison of dDAT, hDAT, hSERT, and GlyT2
Wilson, Katie A., Wang, Lily, Lin, Yie Chang and O'Mara, Megan L. (2021). Investigating the lipid fingerprint of SLC6 neurotransmitter transporters: a comparison of dDAT, hDAT, hSERT, and GlyT2. BBA Advances, 1 100010, 100010. doi: 10.1016/j.bbadva.2021.100010
2021
Journal Article
The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavity
Wilson, Katie A., Mostyn, Shannon N., Frangos, Zachary J., Shimmon, Susan, Rawling, Tristan, Vandenberg, Robert J. and O'Mara, Megan L. (2021). The allosteric inhibition of glycine transporter 2 by bioactive lipid analgesics is controlled by penetration into a deep lipid cavity. Journal of Biological Chemistry, 296 100282, 100282. doi: 10.1016/j.jbc.2021.100282
2020
Journal Article
Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter
Rawling, Tristan, MacDermott-Opeskin, Hugo, Roseblade, Ariane, Pazderka, Curtis, Clarke, Callum, Bourget, Kirsi, Wu, Xin, Lewis, William, Noble, Benjamin, Gale, Philip A., O'Mara, Megan L., Cranfield, Charles and Murray, Michael (2020). Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter. Chemical Science, 11 (47), 12677-12685. doi: 10.1039/d0sc02777d
Funding
Current funding
Supervision
Availability
- Professor Megan O'Mara is:
- Available for supervision
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Available projects
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Computational design of biocompatable delivery systems
Biocompatible delivery systems allow enhanced delivery of pharmaceuticals, vaccines and other biological payload molecules, with varied effects including extending the pharmaceutical half-life of drugs, increasing adsorption and decreasing immunogenicity. While these agents have increased the efficacy of many biological therapies, very little work has been done on improving the targeting of these agents to the specific cell or receptor of interest. This project will examine strategies to increase the selectivity of biopolymer delivery systems to enhance the ability to target specific cell types or receptors, thereby reducing off target effects. This project will identify the chemical composition and biophysical characteristics of different cell membranes, and how this impacts their interaction with biopolymer delivery systems. The project requires good collaboration skills, an broad understanding of chemistry and biochemistry, and strong skills in multiscale modelling techniques, from QMMM to coarse grained molecular dynamics.
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The impact of lipid modifications on cell membrane function
Membrane lipid composition influences the localisation of membrane proteins and regulates their activity. The hundreds of chemically distinct lipids within cell membranes phase-separate to form microdomains that impact the localisation and interactions of membrane proteins. The composition of the cell membrane is tightly controlled in normal cellular function. There is now considerable evidence that altered cell homeostasis, ranging from inflammatory processes to cancer, cause alterations in metabolic pathways which impact membrane lipid distributions, cell biophysical properties and membrane protein function. This may have downstream impacts on the uptake and efficacy of a range of pharmaceuticals used to treat dysfunction. Using data derived from mass spectrometry and other experimental approaches, this project will use multiscale simulation techniques to examine how changes in lipid membrane composition in cancer and other disease states impacts drug uptake. This knowledge will provide a means to specifically target a given cell type through the drug delivery systems and targeted therapeutics.
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Membrane mediated antimicrobial resistance
Bacterial multidrug efflux pumps are the bacteria’s first line of defence against the action of antimicrobials. However, very little is currently known about the function and substrate range of these efflux pumps. This project will examine different multidrug efflux pumps to uncover the structural basis of substrate specificity and transport. It will examine the impact of bacterial membrane modifications on bacterial multidrug efflux pump function, and how peptide- and/or polymer-based antimicrobials inhibit multidrug efflux pumps and disrupt membrane integrity. Other avenues of investigation include characterising the effect of lipid modifications in antimicrobial resistance, and computational drug design of lead new candidates for antimicrobial design. This project uses a range of computational techniques, primarily multiscale molecular dynamics simulations.
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Allosteric modulation of synaptic transmission by neurosteroids and oxysterols
The development of effective therapeutics that target chronic pain in neurological diseases would significantly improve the quality of life for millions of people living with chronic pain. The glycinergic neuronal transport proteins are a promising target for the treatment of chronic pain. In neurons and other cells, the membrane lipid composition influences the localisation of membrane proteins and regulates their activity. The hundreds of chemically distinct lipids within cell membranes phase-separate to form microdomains that impact the localisation and interactions of membrane proteins. Oxidative stress is an early hallmark of inflammation and disease that causes chemical modifications to membrane lipids, proteins, and other biomolecules. This impacts their function and influences their biophysical properties. This project will examine the effect of oxysterols and neurosteroids on the inhibition of glycernergic synaptic membrane proteins for the development of targeted therapeutics for the treatment of chronic pain in specific disease states. This is a computational project. The direction of the project can be tailored to the interests of the student.
Supervision history
Current supervision
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Doctor Philosophy
Computational design of targeted lipid technologies
Principal Advisor
Other advisors: Professor David Ascher
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Doctor Philosophy
Targeting alterations in cell membrane biophysics for disease intervention
Principal Advisor
Other advisors: Dr Evelyne Deplazes
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Doctor Philosophy
The effect of membrane composition on protein-ligand interactions in drug design and delivery
Principal Advisor
Other advisors: Professor Debra Bernhardt
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Doctor Philosophy
Investigation of the mechanisms of antimicrobial resistance and design of novel antimicrobials
Principal Advisor
Other advisors: Dr Evelyne Deplazes
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Doctor Philosophy
Allosteric modulation of synaptic proteins by endogenous and modified sterols
Principal Advisor
Other advisors: Professor David Ascher, Dr Evelyne Deplazes
Completed supervision
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2013
Doctor Philosophy
Targeting the membrane: molecular dynamics studies of protein-membrane interactions.
Associate Advisor
Other advisors: Professor Alan Mark
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2015
Doctor Philosophy
Understanding multidrug resistance: Molecular Dynamics studies of ligand recognition by P-glycoprotein
Joint Principal Advisor
Other advisors: Professor Alan Mark
Media
Enquiries
Contact Professor Megan O'Mara directly for media enquiries about:
- biophysics
- computational chemistry
- drug design
- supercomputers - applications
- women in STEM
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