Irina Tikhonova

Dr

  • Room 02.058 - Pharmacy & MCI

    United Kingdom

Accepting PhD Students

PhD projects

Open to PhD applications in the field of multiscale modelling of biomolecular systems (peptides, proteins, allosteric drugs and membrane), pharmaceutical materials (hydrogels and polymers), nanostructures to improve therapeutic targeting and diagnostic applications.

20002020

Research activity per year

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Personal profile

Interests

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.  

Research Statement

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. 

Teaching

PMY2106: Medicinal Substances: Structure and Function

PMY2104: Pharmacological Basis of Therapeutics

PMY3082: Drug Design and Applied Pharmaceutical Analysis

PMY4005: Research Project

 

Other

- 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.

 

Citation indices: GoogleScholar  ResearchGate  Scopus

 

Particulars

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. 

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