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Sergey Shityakov

Anesthesia and Critical Care
University of Wuerzburg


Sergey Shityakov is currently a Postdoctoral Fellow in the Department of Anesthesiology and Critical Care at Wuerzburg Hospital University. He received an M.D. in immunology and infectious diseases from Novgorod State University School of Medicine in Russia, and a Ph.D. in molecular biology from Wuerzburg University in Germany. His research interests include blood-brain barrier research, molecular docking, and molecular dynamics simulation of different biological systems, such as brain transporter proteins and carbon nanostructures. His work in these areas has been published in various peer-reviewed journals and presented at scientific conferences.


1) Permeation of nanoparticles (SWCNTs and MWCNTs) through the blood-brain barrier
2) Functionalization of carbon nanotubes with DNA and surfactants
3) Cyclodextrins in drug design and development
4) LipoTrans project


19) Shityakov S*, Puskás I, Roewer N, Förster C, Broscheit JA, 2015, Optimized sevoflurane formulation with sulfobutylether-ß-cyclodextrin: technical note, Journal of Advanced Clinical Pharmacology, 2(1):12-14.

18) Shityakov S*, Puskás I, Pápai K, Salvador E, Roewer N, Förster C, and Broscheit JA, 2015, Sevoflurane-sulfobutylether-β-cyclodextrin complex: preparation, characterization, cellular toxicity, molecular modeling, and the blood-brain barrier transport studies, Molecules, 20(6): 10264-10279.

17) Muhammad N, Srivastava M, Shityakov S, Dandekar T*, 2015, CLAVATA3 is blind or binds to FLS2 – A Structural Modelling Perspective, Molecular Plant, in submission.

16) Shityakov S*, Salvador E, Pastorin G, Foerster C*, 2015, Blood-brain barrier studies, toxicity, aggregation, and molecular dynamics simulation of multi-walled carbon nanotube functionalized with fluorescein isothiocyanate. International Journal of Nanomedicine, 10:1703-1713.

15) Shityakov S*, Sohajda T, Puskas I, Foerster C, and Broscheit J, 2014, Ionization states, cellular toxicity and molecular modelling studies of midazolam complexed with trimethyl-bata-cyclodextrin. Molecules, 19(10):16861-16876.

14) Lozovaya N, Gataullina S, Tsintsadze T, Tsintsadze V, Pallesi-Pocachard E, Minlebaev M, Goriounova NA, Buhler E, Watrin F, Shityakov S, Becker AJ, Bordey A, Milh M, Scavarda D, Bulteau C, Dorfmuller G, Delalande O, Represa A, Cardoso C, Dulac O, Ben-Ari Y, Burnashev N, 2014, Selective suppression of excessive GluN2C expression rescues early epilepsy in a tuberous sclerosis murine model. Nature Communications, 1(5):4563.

13) Shityakov S*, Foerster C*, 2014, In silico predictive model to determine vector-mediated transport properties for the blood-brain barrier choline transporter. Advances and Applications in Bioinformatics and Chemistry, 7:23-36.

12) Shityakov S*, Puskas I, Roewer N, Foerster C, Broscheit J, 2014, Three-dimensional quantitative structure-activity relationship and docking studies on a series of anthocyanin derivatives as cytochrome P450 3A4 inhibitors. Advances and Applications in Bioinformatics and Chemistry, 2014(7):11-21.

11) Shityakov S*, Foerster C*, 2014, In silico structure-based screening of versatile P-glycoprotein inhibitors using polynomial empirical scoring functions. Advances and Applications in Bioinformatics and Chemistry, 2014(7):1-9.

10) Shityakov S*, Foerster C, Rethwilm A, Dandekar T*, 2014, Role of the central polypurine tract in retroviral nuclear import: analysis of the HIV-1 central polypurine tract in a foamy virus vector background. The Scientific World Journal, 2014:487969.

9) Shityakov S*, Salvador E, Förster C*, 2013, In silico, in vitro and in vivo methods used in pharmaceutical research to analyse drug permeation through the blood-brain barrier. OA Anaesthetics, 1(2):13.

8) Salvador E, Shityakov S, Foerster C*, 2013, Glucocorticoids and endothelial cell barrier function. Cell Tissue Res, 355(3):597-605.

7) Shityakov S*, Foerster C*, 2013, Pharmacokinetic delivery and metabolizing rate of nicardipine incorporated in hydrophilic and hydrophobic cyclodextrins using two-compartment model. The Scientific World Journal, 2013:131358.

6) Shityakov S*, Foerster C*, 2013, Multidrug resistance protein P-gp interaction with nanoparticles (fullerenes and carbon nanotube) to assess their drug delivery potential: a molecular docking study. International Journal Computational Biology and Drug Design, 6(4):343-357.

5) Shityakov S*, Broscheit J, Foerster C*, 2012, Beta-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies. International Journal of Nanomedicine, 7:1-9.

4) Shityakov S*, Neuhaus W, Dandekar T, Foerster C*, 2012, Analysing molecular polar surface descriptors to predict blood-brain barrier permeation. International Journal of Computational Biology and Drug Design, 6(1-2):146-56.

3) Shityakov S*, Dandekar T, 2011, Molecular dynamics simulation of POPC and POPE lipid membrane bilayers enforced by an intercalated single-wall carbon nanotube. NANO, 6(1):19-29 (front paper with cover image).

2) Shityakov S*, Dandekar T, Rethwilm A, 2010, Structural and docking analysis of HIV-1 integrase and Transportin-SR2 interaction: Is this a more general and specific route for retroviral nuclear import and its regulation? Online Journal of Bioinformatics, 11(1):19-33.

1) Shityakov S*, Dandekar T, 2009, Lead expansion and virtual screening of Indinavir derivate HIV-1 protease inhibitors using pharmacophoric - shape similarity scoring function. Bioinformation, 4(7):295-299.

*-Corresponding Author

Grade: Member

Member since June 25, 2011
Contact Details
Address: Klinik und Poliklinik fuer Anaesthesiologie, Zentrum fuer Operative Medizin, Universitaetsklinikum Wuerzburg,
Oberduerrbacher Strasse 6, 97080 Wuerzburg, Germany
E-mail: shityakoff(AT)mail.ru

Phone: + 49 (931) 201 - 3 00 16
Email: visible to members only
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