SHITYAKOV, Sergey V.
Prof., MD, PhD, DSc
Research interests

 Self-assembled liquid crystal structures and their emergent behavior:

  • Principles and methods of generating molecular databases in biomedicine and in rational drug design and discovery including various formulations, such as cyclodextrins as drug delivery vectors together with molecular modeling and simulations

Features of the PhD program

The opportunity to participate in interdisciplinary projects at the intersection of biology, chemistry, pharmacology, and IT. Permanent cooperation with foreign colleagues from leading European universities, regular participation in mobility programs. Gaining experience in the development and use of unique experimental facilities for studying protein-ligand interactions.
List of the supervisor’s research projects (participation/supervision)
  • New pH-sensitive self-assembled nanocontainer structures based on inorganic polymers and molecular complexes, a contributor, 2020-2021
  • The universal electrochemical sensing platform for the enzyme-linked immunosorbent assay of SARS-CoV-2 virus in biological fluids, a contributor, 2020-2023
List of potential thesis topics
  • Molecular modeling and simulation of bioactive compounds against COVID-19
  • QSAR and QSPR modeling using AI-algorithms: molecular docking, molecular dynamics, quantum mechanics, etc.
Publications in the last five years 24 (Scopus / Web of Science)
Key publications
  1. Dutta K., Shityakov S., Zhu W., Khalifa I. High-risk meat and fish cooking methods of polycyclic aromatic hydrocarbons formation and its avoidance strategies//Food Control, 2022, Vol. 142, pp. 109253
  2. Shityakov S., Skorb E.V., Nosonovsky M. Topological bio-scaling analysis as a universal measure of protein folding//Royal Society Open Science, 2022, Vol. 9, No. 7, pp. 220160
  3. Bencurova E., Shityakov S., Schaack D., Kaltdorf M., Sarukhanyan E., Hilgarth A., Rath C., Montenegro S., Roth G., Lopez D., Dandekar T. Nanocellulose Composites as Smart Devices With Chassis, Light-Directed DNA Storage, Engineered Electronic Properties, and Chip Integration//Frontiers in Bioengineering and Biotechnology, 2022, Vol. 10, pp. 869111
  4. El Azzouzi M., Azzaoui K., Warad I., Hammouti B., Shityakov S., Sabbahi R., Saoiabi S., Youssoufi M.H., Akartasse N., Jodeh S., Lamhamdi A., Zarrouk A. Moroccan, Mauritania, and senegalese gum Arabic variants as green corrosion inhibitors for mild steel in HCl: Weight loss, electrochemical, AFM and XPS studies//Journal of Molecular Liquids, 2022, Vol. 347, pp. 118354
  5. Fareed M., Ullah S., Aziz S., Johnsen T., Shityakov S. In-silico analysis of non-synonymous single nucleotide polymorphisms in human Beta-defensin type 1 gene reveals their impact on protein-ligand binding sites//Computational Biology and Chemistry, 2022, Vol. 98, pp. 107669
Key IPs

Shityakov S, Bencurova E, Seibel J, Dandekar T, 2017, Applications of nanocellulose composite materials for single-electron transistors, pH-changing colours, imprinting sensors, and energy storage devices, patent

Supervisor’s specific requirements
Know the following subjects:
  • Molecular bioscience
  • Basics of pharmaceutical chemistry
  • Basics in rational drug design and discovery
  • Programming skills
Code of the subject area of the PhD program
04.06.01 Chemical sciences
Specialization: Physical chemistry
Specialization: Macromolecular compounds
 
06.06.01 Biological sciences
Specialization: Biochemistry
 
09.06.01 Informatics and computer engineering
Specialization: Artificial intelligence and machine learning
Specialization: Automatization and management of the technological and industrial processes (industry)