Sergey Shityakov

ITMO University — Russia

Computer Science · Physical Sciences

27h-index2.7kcitations167works2.72yr avg
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Research Topics

Computational Drug Discovery Methods(19), Drug Solubulity and Delivery Systems(14), Protein Interaction Studies and Fluorescence Analysis(9), Drug Transport and Resistance Mechanisms(8), RNA and protein synthesis mechanisms(6)

Publications167 total

Entangled fingerprints for quantum-encoded chemoinformatics: quantum circuits for molecular similarity in the noisy era
Frontiers in Chemistry·2026Open Access
EV235 NEUROCLICK: SOFTWARE FOR MIMICKING CLICK REACTION TO GENERATE DRUG-LIKE MOLECULES PERMEATING THE BLOOD-BRAIN BARRIER
Neuromodulation Technology at the Neural Interface·2026
Network pharmacology reveals Artemetin from Artemisia annua as a multitarget agent against hepatocellular carcinoma with α-amylase-inhibitory potential
In Silico Pharmacology·2025
Retraction notice to "Social, ethical, environmental, economic and technological aspects of rabbit meat production - A critical review" [Heliyon 10 (2024) e29635]
Heliyon·2025Open Access
Enhancing Drug Solubility and Bioavailability Through Cyclodextrin Inclusion Complexes: An Integrative Molecular Meta-Modeling Approach
Journal of Computational Biophysics and Chemistry·2025· 1 cited
Strategies for Improved Docosahexaenoic Acid Synthesis in Microalgae
ACS Synthetic Biology·2025· 1 cited
Natural polyphenols for sustainable active, smart, and intelligent food packaging: a structured narrative review
Frontiers in Food Science and Technology·2025· 2 citedOpen Access
Synthesis and characterization of functionalized chitosan coupled with phenolic aldehyde to thwart antibiotics-resistant bacteria with antioxidant and anti-inflammatory properties: In vitro evaluations and computational investigations
International Journal of Biological Macromolecules·2025· 3 cited
Targeted Anti-Inflammatory Effects of CHLoramphenicol via TLR4 Inhibition in Postoperative Hemorrhoid Treatment: A Clinico-Computational Cohort Study
Current Medicinal Chemistry·2025
Rosa Centifolia L. effect on hemostasis: a multifaceted study combining in-vitro, in-vivo, and in-silico investigations of molecular mechanisms
Blood Coagulation & Fibrinolysis·2025
Breaking Boundaries in Cancer Therapy: Harnessing Chromothripsisinduced Mutations for Targeted Bcl-2 Protein Destabilization
Current Drug Discovery Technologies·2025
<i>In Silico</i> Pharmaco-genomic Analysis and Structural Simulations Unveil Potential of Bumetanide in Mitigating NLGN3 R451C Mutation Effects in Autism Spectrum Disorder
Journal of Computational Biophysics and Chemistry·2025
Computational Design and Optimization of Anthracene-Based Dyes for High-Efficiency Dye-Sensitized Solar Cells
Journal of Computational Biophysics and Chemistry·2025· 1 cited
Next-Generation Hydrogel Design: Computational Advances in Synthesis, Characterization, and Biomedical Applications
Polymers·2025· 18 citedOpen Access
Ergodic Manipulation of Genome Chaos: Innovative Strategies against Malignant Progression
Current Cancer Drug Targets·2025
Preliminary assessment of cardiovascular effects and chemoinformatic analysis of total aqueous extract and fractions from Inula viscosa leaves
Journal of Molecular Histology·2025· 1 cited
Interplay between noise-induced sensorineural hearing loss and hypertension: pathophysiological mechanisms and therapeutic prospects
Frontiers in Cellular Neuroscience·2025· 8 citedOpen Access
Heart Rate Variability, Microvascular Dysfunction, and Inflammation: Exploring the Potential of taVNS in Managing Heart Failure in Type 2 Diabetes Mellitus
Biomolecules·2025· 4 citedOpen Access
Discovery of Polyphenolic Compounds from Mangifera indica as PotentTherapeutics for Strongyloides stercoralis Infection via Computer-aidedDrug Design
Current Computer - Aided Drug Design·2025
Synthesis and application of diazenyl sulfonamide-based schiff bases as potential BRCA2 active inhibitors against MCF-7 breast cancer cell line
Scientific Reports·2025· 7 citedOpen Access
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Frequent Co-authors

Carola Y. Förster(17), Jens Broscheit(10), Norbert Roewer(9), Kunal Dutta(7), Thomas Dandekar(6), Ellaine Salvador(6), Fatemeh Fateminasab(6), Carola Foerster(4), Abdol‐Khalegh Bordbar(4), Ali Akbar Saboury(4), István Puskás(4), Ibrahim Khalifa(4), Ramin Ekhteiari Salmas(3), Chandradipa Ghosh(3), Muhammad Mazhar Fareed(3), Ashkan Zare Karizak(3), Aqeel A. Hussein(2), Muhammad Usman Khan(2), Mohammad Ali Shariati(2), Serdar Durdağı(2)