Cytokinin Receptors

Molecular mechanism of activation of cytokinin receptors, playing crucial role in plant growth and development

NMDA Receptor Modeling

Modeling of the glutamate NMDA receptor, design and virtual screening of its ligands as potential neuroprotector agents to treat Alzheimer's disease, Parkinson disease and schizophrenia

Flavivirus Reproduction Inhibitors

  • Molecular dynamics simulations of flavivirus envelope proteins, analysis of intrinsic determinants of virion properties
  • Design of small molecule antiviral compounds against tick-borne encephalitis, dengue fever, and other diseases caused by flaviviruses

Antitumor compounds

Design of compounds combining various fragments affecting tubulin polymerization and depolimerization as promising oncolytic agents

Serine/threonine protein kinases

Development of inhibitors of human and Mycobacteium tuberculosis serine/threonine protein kinases as promising agents for treatment of various diseases, from type II diabetes to Alzheimer's disease

Molecular switches

 Development of рН-dependent conformational switches that cause liposome opening and targeted delivery of antitumor drugs

Forcefield development

Development of new approaches to the analysis of ring shapes in organic molecules and the description of electronic distribution (atomic charges) and halogen bonding in the framework of forcefield model for rapid estimation of intra- and intermolecular interaction energies in molecular mechanics, molecular dynamics and docking methods