Шитяков Сергей Васильевич


PhD, науки
shityakoff@itmo.ru
Структурное подразделение:
научно-образовательный центр инфохимии
Должность:
профессор (квалификационная категория "ординарный профессор")
Профиль:
1.4.5. - Хемоинформатика
1.4.4. - Физическая химия
1.5.4. - Биохимия
03.01.04 - Биохимия

Область интересов:
Использование циклодекстринов в формулировании лекарственных веществ. Rational drug design and discovery, cyclodextrin research. Изучение физико-химических аспектов связывания комплексных сложных пространственных структур с применением методов молекулярного докинга
Рабочий язык:
Английский, Русский

Публикации руководителя
Выходные данные Год Индексирование в БД
Wilhelms B., Broscheit J., Shityakov S. Chemical Analysis and Molecular Modelling of Cyclodextrin-Formulated Propofol and Its Sodium Salt to Improve Drug Solubility, Stability and Pharmacokinetics (Cytogenotoxicity)//Pharmaceuticals, 2023, Vol. 16, No. 5, pp. 667 2023 Scopus, Web of Science
Dutta K., Shityakov S., Maruyama F. DSF inactivator RpfB homologous FadD upregulated in Bradyrhizobium japonicum under iron limiting conditions//Scientific Reports, 2023, Vol. 13, No. 1, pp. 8701 2023 Scopus, Web of Science
Muravev A.A., Voloshina A.D., Sapunova A.S., Gabdrakhmanova F.B., Lenina O.A., Petrov K.A., Shityakov S., Skorb E.V., Solovieva S.E., Antipin I.S. Calix[4]arene–pyrazole conjugates as potential cancer therapeutics//Bioorganic Chemistry, 2023, Vol. 139, pp. 106742 2023 Scopus, Web of Science
Aliev T., Belyaev V.E., Pomytkina A.V., Nesterov P., Shityakov S., Sadovnichii R., Novikov A.S., Orlova O.Y., Masalovich M.S., Skorb E.V. Electrochemical Sensor to Detect Antibiotics in Milk Based on Machine Learning Algorithms//ACS Applied Materials and Interfaces, 2023, Vol. 15, No. 44, pp. 52010-52020 2023 Scopus, Web of Science
Shityakov S., Skorb E., Nosonovsky M. Folding–unfolding asymmetry and a RetroFold computational algorithm//Royal Society Open Science, 2023, Vol. 10, No. 5, pp. 221594 2023 Scopus, Web of Science
Shityakov S., Aglikov A.S., Skorb E.V., Nosonovsky M. Voronoi Entropy as a Ligand Molecular Descriptor of Protein–Ligand Interactions//ACS Omega, 2023, Vol. 8, No. 48, pp. 46190-46196 2023 Scopus, Web of Science
Kovalenko A.A., Porozov Y.B., Skorb E.V., Shityakov S. Using novel click chemistry algorithm to design D3R inhibitors as blood-brain barrier permeants//Future Medicinal Chemistry, 2023, Vol. 15, No. 11, pp. 923-935 2023 Scopus, Web of Science
Siddiqui S.A., Alvi T., Biswas A., Shityakov S., Gusinskaia T., Lavrentev F., Dutta K., Khan M., Stephen J., Radhakrishnan M. Food gels: principles, interaction mechanisms and its microstructure//Critical Reviews in Food Science and Nutrition, 2023, Vol. 63, No. 33, pp. 12530-12551 2023 Scopus, Web of Science
Olawale F., Iwaloye O., Folorunso I., Shityakov S. In silico High-Throughput Screening of ZINC Database of Natural Compounds to Identify Novel Histone Deacetylase Inhibitors//Journal of Computational Biophysics and Chemistry, 2023, Vol. 22, No. 1, pp. 11-30 2023 Scopus, Web of Science
Fareed M.M., Ullah S., Qasmi M., Shityakov S. The Role of Vitamins in DNA Methylation as Dietary Supplements or Neutraceuticals: A Systematic Review//Current Molecular Medicine, 2023, Vol. 23, No. 10, pp. 1012-1027 2023 Scopus, Web of Science
Tamer T., Zhou H., Hassan M., Abu-Serie M.M., Shityakov S., Elbayomi S.M., Mohy-Eldin M., Zhang Y., Cheang T. Synthesis and physicochemical properties of an aromatic chitosan derivative: In vitro antibacterial, antioxidant, and anticancer evaluations, and in silico studies//International Journal of Biological Macromolecules, 2023, Vol. 240, pp. 124339 2023 Scopus, Web of Science
Iwaloye O., Ottu P.O., Olawale F., Babalola O.O., Elekofehinti O.O., Kikiowo B., Adegboyega A.E., Ogbonna H.N., Adeboboye C.F., Folorunso I., Fakayode A.E., Akinjiyan M.O., Onikanni S.A., Shityakov S. Computer-aided drug design in anti-cancer drug discovery: What have we learnt and what is the way forward?//Informatics in Medicine Unlocked, 2023, Vol. 41, pp. 101332 2023 Scopus
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 2022 Scopus, Web of Science
Esmaeilpour D., Broscheit J.A., Shityakov S. Cyclodextrin-Based Polymeric Materials Bound to Corona Protein for Theranostic Applications//International Journal of Molecular Sciences, 2022, Vol. 23, No. 21, pp. 13505 2022 Scopus, Web of Science
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 2022 Scopus, Web of Science
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 2022 Scopus, Web of Science
Fateminasab F., Bordbar A., Shityakov S., Asadi B., Zare Karizak A., Mohammadpoor-Baltork I., Saboury A.A. Modified beta-cyclodextrins: Rosmarinic acid inclusion complexes as functional food ingredients show improved operations (solubility, stability and antioxidant activity)//Food Hydrocolloids, 2022, Vol. 131, pp. 107731 2022 Scopus, Web of Science
Zare Karizak A., Divsalar A., Leilabadi Asl A., Fateminasab F., Shityakov S., Saboury A.A. Molecular insights into the interaction of 5-fluorouracil and Fe3O4 nanoparticles with beta-casein: An experimental and theoretical study//Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2022, Vol. 267, No. Part. 2, pp. 120538 2022 Scopus, Web of Science
Karnati S., Guntas G., Rajendran R., Shityakov S., Horing M., Liebisch G., Kosanovic D., Ergun S., Nagai M., Forster C. Quantitative Lipidomic Analysis of Takotsubo Syndrome Patients' Serum//Frontiers in Cardiovascular Medicine, 2022, Vol. 9, pp. 797154 2022 Scopus, Web of Science
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 2022 Scopus, Web of Science
Forster C., Shityakov S., Scheper V., Lenarz T. Linking Cerebrovascular Dysfunction to Age-Related Hearing Loss and Alzheimer's Disease-Are Systemic Approaches for Diagnosis and Therapy Required?//Biomolecules, 2022, Vol. 12, No. 11, pp. 1717 2022 Scopus, Web of Science
Fareed M., Qasmi M., Aziz S., Volker E., Forster C., Shityakov S. The Role of Clusterin Transporter in the Pathogenesis of Alzheimer’s Disease at the Blood–Brain Barrier Interface: A Systematic Review//Biomolecules, 2022, Vol. 12, No. 10, pp. 1452 2022 Scopus, Web of Science
Fareed M., Dutta K., Dandekar T., Tarabonda H., Skorb E.V., Shityakov S. In silico investigation of nonsynonymous single nucleotide polymorphisms in BCL2 apoptosis regulator gene to design novel protein-based drugs against cancer//Journal of Cellular Biochemistry, 2022, Vol. 123, No. 12, pp. 2044-2056 2022 Scopus, Web of Science
Shafran Y., Hussein A.A., Beliaev N., Shevyrin V., Shityakov S., Beryozkina T., Bakulev V. Selective Synthesis of Azoloyl NH-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights//ACS Omega, 2022, Vol. 7, No. 6, pp. 5008-5031 2022 Scopus, Web of Science
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 2022 Scopus, Web of Science
Dutta K., Shityakov S., Khalifa I. New Trends in Bioremediation Technologies Toward Environment-Friendly Society: A Mini-Review//Frontiers in Bioengineering and Biotechnology, 2021, Vol. 9, pp. 666858 2021 Scopus, Web of Science
Shityakov S., Skorb E.V., Forster C., Dandekar T. Scaffold Searching of FDA and EMA-Approved Drugs Identifies Lead Candidates for Drug Repurposing in Alzheimer’s Disease//Frontiers in Chemistry, 2021, Vol. 9, pp. 736509 2021 Scopus, Web of Science
Esmaeilpour D., Shityakov S., Tamaddon A., Bordbar A. Comparative chemical examination of inclusion complexes formed with Beta-cyclodextrin derivatives and basic amino acids//Carbohydrate Polymers, 2021, Vol. 262, pp. 117868 2021 Scopus, Web of Science
Dutta K., Elmezayen A., Al-Obaidi A., Zhu W., Morozova O., Shityakov S., Khalifa I. Seq12, Seq12m, and Seq13m, peptide analogues of the spike glycoprotein shows antiviral properties against SARS-CoV-2: An in silico study through molecular docking, molecular dynamics simulation, and MM-PB/GBSA calculations//Journal of Molecular Structure, 2021, Vol. 1246, pp. 131113 2021 Scopus, Web of Science
Shityakov S., Hayashi K., Stork S., Scheper V., Lenarz T., Forster C. The conspicuous link between ear, brain and heart–could neurotrophin-treatment of age-related hearing loss help prevent alzheimer’s disease and associated amyloid cardiomyopathy?//Biomolecules, 2021, Vol. 11, No. 6, pp. 900 2021 Scopus, Web of Science
Mammadova-Bach E., Gil-Pulido J., Sarukhanyan E., Burkard P., Shityakov S., Schonhart C., Stegner D., Remer K., Nurden P., Nurden A.T., Dandekar T., Nehez L., Dank M., Braun A., Mezzano D., Abrams S.I., Nieswandt B. Platelet glycoprotein VI promotes metastasis through interaction with cancer cell–derived galectin-3//Blood, 2020, Vol. 135, No. 14, pp. 1146-1160 2020 Scopus, Web of Science
Sarukhanyan E., Shityakov S., Dandekar T. Rational drug design of Axl tyrosine kinase type I inhibitors as promising candidates against cancer//Frontiers in Chemistry, 2020, Vol. 7, pp. 920 2020 Scopus, Web of Science
Esmaeilpour D., Hussein A.A., Almalki F.A., Shityakov S., Bordbar A. Probing inclusion complexes of 2-hydroxypropyl-beta-cyclodextrin with mono-amino mono-carboxylic acids: physicochemical specification, characterization and molecular modeling//Heliyon, 2020, Vol. 6, No. 4, pp. e03360 2020 Scopus, Web of Science
Shityakov S., Bencurova E., Forster C., Dandekar T. Modeling of shotgun sequencing of DNA plasmids using experimental and theoretical approaches//BMC Bioinformatics, 2020, Vol. 21, No. 1, pp. 132 2020 Scopus, Web of Science
Sun C.F., Chiu W.C., Chen P.C., Chang H.C., Guu T.W., Shityakov S., Miller A.H., Felger J.C., Chang J.P., Su K.P. Depression-free after Interferon-alpha exposure indicates less incidence of depressive disorder: A longitudinal study in Taiwan//Brain, Behavior, and Immunity, 2020, Vol. 88, pp. 125-131 2020 Scopus, Web of Science
Hussein A.A., Al-Hadedi A.M., Mahrath A.J., Moustafa G.A., Almalki F.A., Shityakov S., Algazally M.E. Mechanistic investigations on Pinnick oxidation: a density functional theory study//Royal Society Open Science, 2020, Vol. 7, No. 2, pp. 191568 2020 Scopus, Web of Science
Shityakov S., Bigdelian E., Hussein A.A., Hussain M.B., Tripathi Y.C., Khan M.U., Shariati M.A. Phytochemical and pharmacological attributes of piperine: A bioactive ingredient of black pepper//European Journal of Medicinal Chemistry, 2019, Vol. 176, pp. 149-161 2019 Scopus, Web of Science
Hussein A.A., Almalki F.A., Alqahtani A.M., Shityakov S. Computational assessments of diastereoselective [4+2] cycloaddition and 1,3-borotopic shift of a dearomatized tertiary boronic ester intermediate: reactivities explained through transition-state distortion energies//RSC Advances, 2019, Vol. 9, No. 40, pp. 23148-23155 2019 Scopus, Web of Science
Shityakov S., Roewer N., Foerster C.Y., Tran H.T., Cai W., Broscheit J.A. Investigation of Crystalline and Amorphous Forms of Aluminum and Its Alloys: Computational Modeling and Experiment//Nano, 2018, Vol. 13, No. 3, pp. 1850026 2018 Scopus, Web of Science