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  1. Deciphering Molecular Mechanisms of Carbon Tetrachloride- Induced Hepatotoxicity: A Brief Systematic Review

    Article • Current Molecular Medicine, September 2024, Bentham Science Publishers

    Professor Sergey Shityakov, Ph.D Scholar Sana Khalid

  2. Chemical Analysis and Molecular Modelling of Cyclodextrin-Formulated Propofol and Its Sodium Salt to Improve Drug Solubility, Stability and Pharmacokinetics (Cytogenotoxicity)

    Article • Pharmaceuticals, April 2023, MDPI AG

    Professor Sergey Shityakov

  3. Linking Cerebrovascular Dysfunction to Age-Related Hearing Loss and Alzheimer’s Disease—Are Systemic Approaches for Diagnosis and Therapy Required?

    Article • Biomolecules, November 2022, MDPI AG

    Professor Sergey Shityakov

  4. In silico High-Throughput Screening of ZINC Database of Natural Compounds to Identify Novel Histone Deacetylase Inhibitors

    Article • Journal of Computational Biophysics and Chemistry, November 2022, World Scientific Pub Co Pte Lt

    Professor Sergey Shityakov

  5. Cyclodextrin-Based Polymeric Materials Bound to Corona Protein for Theranostic Applications

    Article • International Journal of Molecular Sciences, November 2022, MDPI AG

    Professor Sergey Shityakov

  6. The Role of Clusterin Transporter in the Pathogenesis of Alzheimer’s Disease at the Blood–Brain Barrier Interface: A Systematic Review

    Article • Biomolecules, October 2022, MDPI AG

    Professor Sergey Shityakov

  7. In silico investigation of nonsynonymous single nucleotide polymorphisms in BCL2 apoptosis regulator gene to design novel protein‐based drugs against cancer

    Article • Journal of Cellular Biochemistry, September 2022, Wiley

    Professor Sergey Shityakov

  8. The Protective Effects of Neurotrophins and MicroRNA in Diabetic Retinopathy, Nephropathy and Heart Failure via Regulating Endothelial Function

    Article • Biomolecules, August 2022, MDPI AG

    Professor Sergey Shityakov

  9. Supervised Machine Learning Models and Protein-Protein Interaction Network Analysis of Gene Expression Profiles Induced by Omega-3 Polyunsaturated Fatty Acids

    Article • Current Chinese Science, April 2022, Bentham Science Publishers

    Professor Sergey Shityakov

  10. 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?

    Article • Biomolecules, June 2021, MDPI AG

    Professor Sergey Shityakov

  11. Comparative chemical examination of inclusion complexes formed with β-cyclodextrin derivatives and basic amino acids

    Article • Carbohydrate Polymers, June 2021, Elsevier

    Professor Sergey Shityakov

  12. Novel Approach for Characterizing Propofol Binding Affinities to Serum Albumins from Different Species

    Article • ACS Omega, September 2020, American Chemical Society (ACS)

    Assist. Prof. Dr. Aqeel A. Hussein, Professor Sergey Shityakov

  13. Structural Comparison of Diverse HIV-1 Subtypes using Molecular Modelling and Docking Analyses of Integrase Inhibitors

    Article • Viruses, August 2020, MDPI AG

    Professor Sergey Shityakov

  14. Supervised machine learning models and protein-protein interaction network analysis of gene expression profiles induced by omega-3 polyunsaturated fatty acids

    Article • August 2020, Research Square

    Professor Sergey Shityakov

  15. Supervised Machine Learning Models and Protein-protein Interaction Network Analysis of Gene Expression Profiles Induced by Omega-3 Polyunsaturated Fatty Acids

    Article • August 2020, Research Square

    Professor Sergey Shityakov

  16. Synthesis, Biochemical Characterization, and Theoretical Studies of Novel β-Keto-enol Pyridine and Furan Derivatives as Potent Antifungal Agents

    Article • ACS Omega, July 2020, American Chemical Society (ACS)

    Professor Sergey Shityakov

  17. Modeling of shotgun sequencing of DNA plasmids using experimental and theoretical approaches

    Article • BMC Bioinformatics, April 2020, Springer Science + Business Media

    Professor Sergey Shityakov

  18. Phytochemical and pharmacological attributes of piperine: A bioactive ingredient of black pepper

    Article • European Journal of Medicinal Chemistry, August 2019, Elsevier

    Assist. Prof. Dr. Aqeel A. Hussein, Professor Sergey Shityakov

  19. Degradation of pristine and oxidized single wall carbon nanotubes by CYP3A4

    Article • Biochemical and Biophysical Research Communications, July 2019, Elsevier

    Professor Sergey Shityakov

  20. Biodegradation of naphthalene by immobilized Pseudomonas sp. consortium

    Article • May 2019, Cold Spring Harbor Laboratory Press

    Kunal Dutta, Professor Sergey Shityakov

  21. Detailed chemical characterization and molecular modeling of serotonin inclusion complex with unmodified β-cyclodextrin

    Article • Heliyon, April 2019, Elsevier

    Professor Sergey Shityakov

  22. 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

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Assist. Prof. Dr. Aqeel A. Hussein, Professor Sergey Shityakov

  23. Diadzein complexation with unmodified cyclodextrins: A detailed experimental and theoretical study

    Article • Journal of Molecular Liquids, December 2018, Elsevier

    Professor Sergey Shityakov

  24. Diadenosine-Polyphosphate Analogue AppCH2ppA Suppresses Seizures by Enhancing Adenosine Signaling in the Cortex

    Article • Cerebral Cortex, October 2018, Oxford University Press (OUP)

    Professor Sergey Shityakov

  25. Role of Milk-Derived Antibacterial Peptides in Modern Food Biotechnology: Their Synthesis, Applications and Future Perspectives

    Article • Biomolecules, October 2018, MDPI AG

    Professor Sergey Shityakov

  26. Effects of secondary carbon supplement on biofilm-mediated biodegradation

    Article • Journal of Hazardous Materials, September 2018, Elsevier

    Kunal Dutta, Professor Sergey Shityakov

  27. In Silico Designed Axl Receptor Blocking Drug Candidates Against Zika Virus Infection

    Article • ACS Omega, May 2018, American Chemical Society (ACS)

    Professor Sergey Shityakov

  28. Computational simulation and modeling of the blood–brain barrier pathology

    Article • Histochemistry and Cell Biology, May 2018, Springer Science + Business Media

    Professor Sergey Shityakov

  29. Investigation of Crystalline and Amorphous Forms of Aluminum and Its Alloys: Computational Modeling and Experiment

    Article • NANO, March 2018, World Scientific Pub Co Pte Lt

    Professor Sergey Shityakov

  30. Enhanced biodegradation of mixed PAHs by mutated naphthalene 1,2-dioxygenase

    Article • 3 Biotech, October 2017, Springer Science + Business Media

    Kunal Dutta, Professor Sergey Shityakov

  31. In silico investigation of propofol binding sites in human serum albumin using explicit and implicit solvation models

    Article • Computational Biology and Chemistry, October 2017, Elsevier

    Professor Sergey Shityakov

  32. In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach

    Article • Nanoscale Research Letters, July 2017, Springer Science + Business Media

    Professor Sergey Shityakov

  33. In silico models for nanotoxicity evaluation and prediction at the blood-brain barrier level: A mini-review

    Article • Computational Toxicology, May 2017, Elsevier

    Professor Sergey Shityakov

  34. Solubility profiles, hydration and desolvation of curcumin complexed with γ-cyclodextrin and hydroxypropyl-γ-cyclodextrin

    Article • Journal of Molecular Structure, April 2017, Elsevier

    Professor Sergey Shityakov

  35. A Novel Approach for the Control of Inflammatory Pain: Prostaglandin E2 Complexation by Randomly Methylated β-Cyclodextrins

    Article • Anesthesia & Analgesia, February 2017, Wolters Kluwer Health

    Professor Sergey Shityakov

  36. Characterization, in Vivo Evaluation, and Molecular Modeling of Different Propofol–Cyclodextrin Complexes To Assess Their Drug Delivery Potential at the Blood–Brain Barrier Level

    Article • Journal of Chemical Information and Modeling, September 2016, American Chemical Society (ACS)

    Professor Sergey Shityakov

  37. Evaluation of the potential toxicity of unmodified and modified cyclodextrins on murine blood-brain barrier endothelial cells

    Article • The Journal of Toxicological Sciences, January 2016, Japanese Society of Toxicology

    Professor Sergey Shityakov

  38. Gene expression profiles and protein–protein interaction network analysis in AIDS patients with HIV-associated encephalitis and dementia

    Article • HIV/AIDS - Research and Palliative Care, November 2015, Dove Medical Press

    Sergey Shityakov, Professor Sergey Shityakov

  39. Sevoflurane-Sulfobutylether-β-Cyclodextrin Complex: Preparation, Characterization, Cellular Toxicity, Molecular Modeling and Blood-Brain Barrier Transport Studies

    Article • Molecules, June 2015, MDPI AG

    Professor Sergey Shityakov

  40. Blood–brain barrier transport studies, aggregation, and molecular dynamics simulation of multiwalled carbon nanotube functionalized with fluorescein isothiocyanate

    Article • International Journal of Nanomedicine, March 2015, Taylor & Francis

    Sergey Shityakov, Professor Sergey Shityakov

  41. Ionization States, Cellular Toxicity and Molecular Modeling Studies of Midazolam Complexed with Trimethyl-β-Cyclodextrin

    Article • Molecules, October 2014, MDPI AG

    Professor Sergey Shityakov

  42. In silico predictive model to determine vector-mediated transport properties for the blood–brain barrier choline transporter

    Article • Advances and Applications in Bioinformatics and Chemistry, September 2014, Taylor & Francis

    Sergey Shityakov, Professor Sergey Shityakov

  43. Selective suppression of excessive GluN2C expression rescues early epilepsy in a tuberous sclerosis murine model

    Article • Nature Communications, August 2014, Springer Science + Business Media

    Professor Sergey Shityakov

  44. In silico structure-based screening of versatile P-glycoprotein inhibitors using polynomial empirical scoring functions

    Article • Advances and Applications in Bioinformatics and Chemistry, March 2014, Taylor & Francis

    Sergey Shityakov, Professor Sergey Shityakov

  45. Three-dimensional quantitative structure–activity relationship and docking studies in a series of anthocyanin derivatives as cytochrome P450 3A4 inhibitors

    Article • Advances and Applications in Bioinformatics and Chemistry, March 2014, Taylor & Francis

    Sergey Shityakov, Professor Sergey Shityakov

  46. Evaluation and Prediction of the HIV-1 Central Polypurine Tract Influence on Foamy Viral Vectors to Transduce Dividing and Growth-Arrested Cells

    Article • The Scientific World JOURNAL, January 2014, Hindawi Publishing Corporation

    Professor Sergey Shityakov

  47. Glucocorticoids and endothelial cell barrier function

    Article • Cell and Tissue Research, December 2013, Springer Science + Business Media

    Sergey Shityakov, Professor Sergey Shityakov

  48. Analysing molecular polar surface descriptors to predict blood-brain barrier permeation

    Article • International Journal of Computational Biology and Drug Design, January 2013, Inderscience Publishers

    Sergey Shityakov, Professor Sergey Shityakov

  49. Pharmacokinetic Delivery and Metabolizing Rate of Nicardipine Incorporated in Hydrophilic and Hydrophobic Cyclodextrins Using Two‐Compartment Mathematical Model

    Article • The Scientific World JOURNAL, January 2013, Wiley

    Sergey Shityakov, Professor Sergey Shityakov

  50. Multidrug resistance protein P-gp interaction with nanoparticles (fullerenes and carbon nanotube) to assess their drug delivery potential: a theoretical molecular docking study

    Article • International Journal of Computational Biology and Drug Design, January 2013, Inderscience Publishers

    Sergey Shityakov, Professor Sergey Shityakov

  51.  α-Cyclodextrin dimer complexes of dopamine and levodopa derivatives to assess drug delivery to the central nervous system: ADME and molecular docking studies

    Article • International Journal of Nanomedicine, June 2012, Taylor & Francis

    Sergey Shityakov, Professor Sergey Shityakov

  52. MOLECULAR DYNAMICS SIMULATION OF POPC AND POPE LIPID MEMBRANE BILAYERS ENFORCED BY AN INTERCALATED SINGLE-WALL CARBON NANOTUBE

    Article • NANO, February 2011, World Scientific Pub Co Pte Lt

    Sergey Shityakov, Professor Sergey Shityakov