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.
18/04/2018 → …
16/01/2018 → …
02/05/2017 → …
04/04/2017 → …
An atypical and functionally diverse family of Kunitz-type cysteine/serine proteinase inhibitors secreted by the helminth parasite Fasciola hepaticaSmith, D., Cwiklinski, K., Jewhurst, H., Tikhonova, I. G. & Dalton, J. P., 26 Nov 2020, In: Scientific Reports. 10, 15 p., 20657.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile1 Citation (Scopus)17 Downloads (Pure)
Fasciola hepatica serine protease inhibitor family (serpins) Purposely crafted for regulating host proteasesDe Marco Verissimo, C., Jewhurst, H. L., Tikhonova, I. G., Urbanus, R. T., Maule, A. G., Dalton, J. P. & Cwiklinski, K., 06 Aug 2020, In: PLoS Neglected Tropical Diseases. 14, 8, p. e0008510
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile3 Citations (Scopus)71 Downloads (Pure)
Tikhonova, I. G., Sergeant, G. P., Thornbury, K. D., Shipston, M. J., Perrino, B. A. & Hollywood, M. A., 13 Jan 2020, In: Proceedings of the National Academy of Sciences of the United States of America. 117, 4, p. 2194
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile3 Citations (Scopus)12 Downloads (Pure)
Regulation of the Fasciola hepatica newly excysted juvenile cathepsin L3 (FhCL3) by its propeptide: a proposed 'clamp-like' mechanism of binding and inhibitionPritsch, I. C., Tikhonova, I. G., Jewhurst, H. L., Drysdale, O., Cwiklinski, K., Molento, M. B., Dalton, J. P. & Verissimo, C. D. M., 07 Dec 2020, In: Biochemistry and cell biology = Biochimie et biologie cellulaire. 21, 17 p., 90.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile35 Downloads (Pure)
GIP receptor: Expression in neuroendocrine tumours, internalization, signalling from endosomes and structure-function relationship studiesReubi, J. C., Fourmy, D., Cordomi, A., Tikhonova, I. G. & Gigoux, V., 16 Dec 2019, In: Peptides. p. 170229
Research output: Contribution to journal › Review article › peer-reviewOpen AccessFile52 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
Irina Tikhonova (Member)23 Jun 2017
Activity: Membership types › Membership of peer review panel or committee