Projects per year
Computational chemistry, medicinal chemistry, biochemistry, chemical biology, molecular pharmacology, computational biology, molecular and structural biology, computer-aided drug design, chemoinformatics, bioinformatics and multiscale modelling of biomaterials.
The main focus of our research efforts is to facilitate understanding biomolecule interactions and function employing computational tools and, using the gained knowledge, to develop novel computer-aided drug design strategies. In collaboration with pharmacologists and medicinal chemists we also immediately apply our computational protocols and predictions to identify functionally important residues in proteins and pharmacologically useful compounds. The current targets of our interests include parasite enzymes (collaboration with Prof. John Dalton, School of Biological Sciences), human enzymes (Prof. Chris Scott, Dr. Lorraine Martin, Pharmacy) and the G protein-coupled receptors (GPCRs) with diabetes, cancer and infection application (national and international mutidisciplinary collaborations).
One of our projects in GPCRs focuses on predictive modelling of allosteric sites (MIDAS). MIDAS is funded by the EU.
Recently, we have started to work on multiscale modelling of biomaterials for drug delivery applications. Here we are particular interested in molecular simulations of hydrogels to improve drug delivery via microneedles. This work involves close collaboration with Prof. Ryan Donnelly, School of Pharmacy.
PMY2106: Medicinal Substances: Structure and Function
PMY2104: Pharmacological Basis of Therapeutics
PMY3082: Drug Design and Applied Pharmaceutical Analysis
PMY4005: Research Project
- Module coordinator for PMY3082/PMY3182
- Mentor for international academic staff, research fellows and PhD students
- Member of the High-Performance Computing Group, FMHLS
- ERASMUS co-ordinator
- Member of the Computation and Simulation Network at Queen's (CoSiNe)
- Committee Member of Molecular Graphics and Modelling Society (MGMS)
- Member of HECBioSim Management Group (HECBioSim)
- Member of ERNEST Management Committee (ERNEST)
- Member of EPSRC College of Expert Peer Reviewers
- Referee for ACS Journal of Medicinal Chemistry, Journal of American Chemical Society, Chemical Reviews, Journal of Chemical Information and Modeling, Future Medicinal Chemistry, Organic Biomolecular Chemistry, Proteins: Structure, Function and Bioinformatics, Current Physical Chemistry, Journal of Pharmacy and Pharmacology, Journal of European Medicinal Chemistry and Journal of Pharmaceutical Sciences.
Irina Tikhonova pursued a Ph.D. in molecular modelling of the ionotropic glutamate receptors at the Moscow State University. In 2004, after her PhD, she became a postdoctoral fellow at the Institute of Molecular Medicine, Toulouse, where she studied ligand-protein interactions in the G protein coupled receptors (GPCRs), on the example of the cholecystokinin and gastrin receptors, using molecular docking and, tested her modeling hypotheses collaborating with experimental biologists. In 2005 she continued structure-function relationship investigations of GPCRs and conducted knowledge-based drug design of the free fatty acid receptor ligands, applying bio/chemoinformatics methods, virtual screening and molecular dynamics and, working in the multidisciplinary team that included pharmacologists, medicinal chemists and physicists at the National Institutes of Health near Washington DC. In 2009 she joined Queen's as a Lecturer in Molecular Modelling.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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Yoval-Sánchez, B., Ansari, F., James, J., Niatsetskaya, Z., Sosunov, S., Filipenko, P., Tikhonova, I. G., Ten, V., Wittig, I., Rafikov, R. & Galkin, A., May 2022, In: Redox Biology. 51, 102258.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile7 Downloads (Pure)
Selective phosphorylation of threonine residues defines GPR84-arrestin interactions of biased ligandsMarsango, S., Ward, R. J., Jenkins, L., Butcher, A. J., Al Mahmud, Z., Dwomoh, L., Nagel, F., Schulz, S., Tikhonova, I. G., Tobin, A. B. & Milligan, G., 13 May 2022, (Early online date) In: The Journal of biological chemistry. 298, 5, 101932.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile3 Downloads (Pure)
Jenkins, L., Marsango, S., Mancini, S., Mahmud, Z. A., Morrison, A., McElroy, S. P., Bennett, K. A., Barnes, M., Tobin, A. B., Tikhonova, I. G. & Milligan, G., 07 Sep 2021, (Early online date) In: ACS Pharmacology & Translational Science.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile38 Downloads (Pure)
Ciancetta, A., Gill, A. K., Ding, T., Karlov, D. S., Chalhoub, G., McCormick, P. J. & Tikhonova, I. G., 28 Sep 2021, (Early online date) In: ACS Central Science.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile29 Downloads (Pure)
Structural basis of the membrane intramolecular transacylase reaction responsible for lyso-form lipoprotein synthesisOlatunji, S., Bowen, K., Huang, C-Y., Weichert, D., Singh, W., Tikhonova, I. G., Scanlan, E. M., Olieric, V. & Caffrey, M., 12 Jul 2021, In: Nature Communications. 12, 14 p., 4254.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile37 Downloads (Pure)
NEXT (Nano Extreme Measurements Theory)-Senior Fellowship from the French National Research Council, Université Paul Sabatier, Toulouse, France
Tikhonova, Irina (Recipient), 01 Sep 2017
Prize: Fellowship awarded competitively
Irina Tikhonova (Invited speaker)16 May 2018
Activity: Talk or presentation types › Invited talk