S. Shityakov

发表

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

C. Förster, S. Shityakov, 2014, Advances and applications in bioinformatics and chemistry : AABC.

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

C. Förster, S. Shityakov, 2013, TheScientificWorldJournal.

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

Sergey Shityakov, Norbert Roewer, Carola Förster, 2017 .

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

R. E. Salmas, S. Durdağı, N. Roewer, 2017 .

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

N. Roewer, C. Förster, S. Shityakov, 2015, Molecules.

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

Tamás Sohajda, N. Roewer, C. Förster, 2014, Molecules.

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

N. Roewer, C. Förster, S. Shityakov, 2013 .

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

T. Dandekar, K. Su, S. Shityakov, 2020, ACS omega.

Rational Drug Design of Axl Tyrosine Kinase Type I Inhibitors as Promising Candidates Against Cancer

T. Dandekar, S. Shityakov, E. Sarukhanyan, 2020, Frontiers in Chemistry.

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

G. Jacobs, S. Shityakov, R. Cloete, 2020, Viruses.

Platelet glycoprotein VI promotes metastasis through interaction with cancer cell-derived Galectin-3.

T. Dandekar, P. Nurden, B. Nieswandt, 2020, Blood.

Molecular modelling and simulation of retroviral proteins and nanobiocomposites

S. Shityakov, 2011 .

Beclabuvir can Inhibit the RNA-dependent RNA Polymerase of Newly Emerged Novel Coronavirus (SARS-CoV-2)

O. Morozova, Wei Zhu, A. Panda, 2020 .

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

M. Shariati, M. U. Khan, C. Förster, 2018, Biomolecules.

Quantitative Lipidomic Analysis of Takotsubo Syndrome Patients' Serum

S. Ergün, G. Liebisch, C. Förster, 2022, Frontiers in Cardiovascular Medicine.

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

M. Shariati, M. U. Khan, S. Shityakov, 2019, European journal of medicinal chemistry.

Effects of secondary carbon supplement on biofilm-mediated biodegradation of naphthalene by mutated naphthalene 1, 2-dioxygenase encoded by Pseudomonas putida strain KD9.

S. P. Moulik, A. Panda, S. Shityakov, 2018, Journal of hazardous materials.

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

S. Ergün, C. Förster, S. Shityakov, 2022, Biomolecules.

A novel peptide analogue of spike glycoprotein shows antiviral properties against SARS-CoV-2: An in silico approach through molecular docking, molecular dynamics simulation and MM-PB/GBSA calculations

Ammar D. Elmezayen, Wei Zhu, S. Shityakov, 2020 .

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

T. Dandekar, A. Rethwilm, C. Förster, 2014, TheScientificWorldJournal.

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

G. Pastorin, C. Förster, S. Shityakov, 2015, International journal of nanomedicine.

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

Y. Ben-Ari, N. Burnashev, A. Represa, 2014, Nature Communications.

Moroccan, Mauritania, and Senegalese gum Arabic variants as green corrosion inhibitors for mild steel in HCl: Weight loss, Electrochemical, AFM and XPS studies

B. Hammouti, S. Jodeh, M. Youssoufi, 2021, Journal of Molecular Liquids.

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

C. Förster, S. Shityakov, Muhammad Mazhar Fareed, 2022, Biomolecules.

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

T. Dandekar, S. Shityakov, 2011 .

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

M. El Massaoudi, S. Radi, S. Tighadouini, 2020, ACS omega.

Topological bio-scaling analysis as a universal measure of protein folding

E. Skorb, Michael Nosonovsky, S. Shityakov, 2022, Royal Society Open Science.

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

S. Shityakov, J. Broscheit, D. Esmaeilpour, 2022, International journal of molecular sciences.

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

T. Dandekar, E. Skorb, S. Shityakov, 2022, Journal of cellular biochemistry.

The Journal of Toxicological Sciences

R. E. Salmas, N. Roewer, C. Förster, 2012 .

Enhanced biodegradation of mixed PAHs by mutated naphthalene 1,2-dioxygenase encoded by Pseudomonas putida strain KD6 isolated from petroleum refinery waste

S. Shityakov, C. Ghosh, Kunal Dutta, 2017, 3 Biotech.

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

T. Lenarz, C. Förster, S. Shityakov, 2022, Biomolecules.

Nanocellulose Composites as Smart Devices With Chassis, Light-Directed DNA Storage, Engineered Electronic Properties, and Chip Integration

T. Dandekar, G. Roth, E. Bencurova, 2022, Frontiers in Bioengineering and Biotechnology.

In silico, in vitro and in vivo methods to analyse drug permeation across the blood-brain barrier: A critical review

C. Förster, S. Shityakov, Ellaine Salvador, 2013 .

Mechanistic investigations on Pinnick oxidation: a density functional theory study

Alaa M. Alqahtani, F. Almalki, S. Shityakov, 2020, Royal Society Open Science.

New Trends in Bioremediation Technologies Toward Environment-Friendly Society: A Mini-Review

S. Shityakov, I. Khalifa, Kunal Dutta, 2021, Frontiers in Bioengineering and Biotechnology.

Enhanced biodegradation of naphthalene by Pseudomonas sp. consortium immobilized in calcium alginate beads

S. Shityakov, I. Khalifa, C. Ghosh, 2019, bioRxiv.

Genetic Variations of Ionotropic Glutamate Receptor Pathways on Interferon-α-induced Depression in Patients with Hepatitis C Viral Infection

J. Chang, K. Su, S. Shityakov, 2020, Brain, Behavior, and Immunity.

Food gels: principles, interaction mechanisms and its microstructure.

Muhammad Kashif Iqbal Khan, S. Shityakov, S. Siddiqui, 2022, Critical reviews in food science and nutrition.

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

Andrew D. Miller, N. Burnashev, T. Tsintsadze, 2018, Cerebral cortex.

Computational simulation and modeling of the blood–brain barrier pathology

Sergey Shityakov, Carola Y Förster, C. Förster, 2018, Histochemistry and Cell Biology.

Selective Synthesis of Azoloyl NH-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights

T. Beryozkina, S. Shityakov, V. Shevyrin, 2022, ACS omega.

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

Alaa M. Alqahtani, F. Almalki, S. Shityakov, 2019, RSC advances.

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

A. Tamaddon, S. Shityakov, A. Bordbar, 2021, Carbohydrate polymers.

Probing inclusion complexes of 2-hydroxypropyl-β-cyclodextrin with mono-amino mono-carboxylic acids: physicochemical specification, characterization and molecular modeling

F. Almalki, S. Shityakov, A. Bordbar, 2020, Heliyon.

Molecular insights into inclusion complex formation between β- and γ-cyclodextrins and rosmarinic acid

A. Saboury, S. Shityakov, A. Bordbar, 2020 .

Comprehensive Physico-Chemical Characterization of a Serotonin Inclusion Complex with 2-Hydroxypropyl-β-Cyclodextrin

A. Saboury, S. Shityakov, A. Bordbar, 2020, Journal of Solution Chemistry.

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

S. Shityakov, A. Bordbar, F. Fateminasab, 2019, Heliyon.

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

S. Shityakov, A. Bordbar, F. Fateminasab, 2018, Journal of Molecular Liquids.

Modified β-cyclodextrins: Rosmarinic acid inclusion complexes as functional food ingredients show improved operations (solubility, stability and antioxidant activity)

A. Saboury, I. Mohammadpoor‐Baltork, S. Shityakov, 2022, Food Hydrocolloids.

Benzyl isocyanate isolated from the leaves of Psidium guajava inhibits Staphylococcus aureus biofilm formation

A. Panda, S. Shityakov, A. Karmakar, 2020, Biofouling.

Molecular insights into the interaction of 5-fluorouracil and Fe3O4 nanoparticles with beta-casein: An experimental and theoretical study.

A. Saboury, A. Divsalar, S. Shityakov, 2021, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Amorphous Iron Phosphate: Inorganic Sol-Gel Synthesis-Sodium and Potassium Insertion

B. Hammouti, S. Jodeh, M. Youssoufi, 2022, Indonesian Journal of Science and Technology.

Advances and Applications in Bioinformatics and Chemistry Dovepress Three-dimensional Quantitative Structure–activity Relationship and Docking Studies in a Series of Anthocyanin Derivatives as Cytochrome P450 3a4 Inhibitors

N. Roewer, C. Förster, S. Shityakov, 2022 .

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

Thomas Dandekar, Sergey Shityakov, Elena Bencurova, 2020, BMC Bioinformatics.

Glucocorticoids and endothelial cell barrier function

C. Förster, S. Shityakov, Ellaine Salvador, 2013, Cell and Tissue Research.

In-silico analysis of non-synonymous single nucleotide polymorphisms in human β-defensin type 1 gene reveals their impact on protein-ligand binding sites

S. Ullah, S. Shityakov, Muhammad Mazhar Fareed, 2022, Comput. Biol. Chem..

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

Sergey Shityakov, Carola Förster, C. Förster, 2013, Int. J. Comput. Biol. Drug Des..

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

Sergey Shityakov, Carola Förster, C. Förster, 2014, Advances and applications in bioinformatics and chemistry : AABC.

Probing the bioactive compounds of Kigelia africana as novel inhibitors of TNF-α converting enzyme using HPLC/GCMS analysis, FTIR and molecular modelling.

S. Shityakov, F. Olawale, K. Karigidi, 2023, Journal of biomolecular structure & dynamics.

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?

S. Störk, T. Lenarz, C. Förster, 2021, Biomolecules.

High-risk meat and fish cooking methods of polycyclic aromatic hydrocarbons formation and its avoidance strategies

Wei Zhu, S. Shityakov, I. Khalifa, 2022, Food Control.

Hiv/aids – Research and Palliative Care Dovepress Gene Expression Profiles and Protein–protein Interaction Network Analysis in Aids Patients with Hiv-associated Encephalitis and Dementia

Thomas Dandekar, Sergey Shityakov, Carola Förster, 2022 .

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

R. E. Salmas, N. Roewer, C. Förster, 2016, The Journal of toxicological sciences.

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

N. Roewer, C. Förster, S. Shityakov, 2017, Nanoscale Research Letters.

Synthesis and physicochemical properties of an aromatic chitosan derivative: In vitro antibacterial, antioxidant, and anticancer evaluations, and in silico studies.

S. Shityakov, Marwa M. Abu‐Serie, T. Tamer, 2023, International journal of biological macromolecules.

Investigation of crystalline and amorphous forms of Aluminum and its alloys: computational modeling and experiment

H. T. Tran, W. Cai, N. Roewer, 2018 .

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

Sergey Shityakov, Norbert Roewer, Carola Förster, 2017, Comput. Biol. Chem..

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

G. Jacobs, S. Shityakov, R. Cloete, 2020, Viruses.

The Role of Vitamins in DNA Methylation as Dietary Supplements or Neutraceuticals: A systematic review.

S. Shityakov, Muhammad Mazhar Fareed, Maryam Qasmi, 2022, Current molecular medicine.

Depression-free after Interferon-α exposure indicates less incidence of depressive disorder: A longitudinal study in Taiwan

Andrew H. Miller, J. Chang, Pau-Chung Chen, 2020, Brain, Behavior, and Immunity.

Antidepressant efficacy and immune effects of bilateral theta burst stimulation monotherapy in major depression: A randomized, double-blind, sham-controlled study

C. Tsai, Ming-Kuei Lu, K. Su, 2020, Brain, Behavior, and Immunity.

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

S. Shityakov, 2020 .

Blood Biomarkers in Takotsubo Syndrome Point to an Emerging Role for Inflammaging in Endothelial Pathophysiology

T. Thum, C. Förster, S. Shityakov, 2023, Biomolecules.

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

M. Muhammed, K. Ezzat, M. Muhammed, 2019, Biochemical and biophysical research communications.

Folding–unfolding asymmetry and a RetroFold computational algorithm

E. Skorb, Michael Nosonovsky, S. Shityakov, 2023, Royal Society Open Science.

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

Thomas Dandekar, Sergey Shityakov, Carola Förster, 2013, Int. J. Comput. Biol. Drug Des..

Exhaustive in silico design and screening of novel antipsychotic compounds with improved pharmacodynamics and blood-brain barrier permeation properties

Y. Porozov, S. Shityakov, R. Tamaian, 2023, Journal of biomolecular structure & dynamics.

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

Serdar Durdagi, Horacio Emilio Pérez Sánchez, Ramin Ekhteiari Salmas, 2016, J. Chem. Inf. Model..

A Novel Approach for the Control of Inflammatory Pain: Prostaglandin E2 Complexation by Randomly Methylated &bgr;-Cyclodextrins

N. Roewer, H. Rittner, A. Brack, 2017, Anesthesia and analgesia.

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

C. Förster, S. Shityakov, 2014, Advances and Applications in Bioinformatics and Chemistry : AABC.

DSF inactivator RpfB homologous FadD upregulated in Bradyrhizobium japonicum under iron limiting conditions

S. Shityakov, Kunal Dutta, Fumito Maruyama, 2023, Scientific reports.

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

C. Förster, S. Shityakov, J. Broscheit, 2012, International journal of nanomedicine.

Network pharmacology and multitarget analysis of Nigella sativa in the management of diabetes and obesity: a computational study.

S. Shityakov, Muntaha Saleem, Muhammad Mazhar Fareed, 2023, Journal of biomolecular structure & dynamics.

Computer-aided drug design in anti-cancer drug discovery: What have we learnt and what is the way forward? ?

S. Shityakov, F. Olawale, A. Adegboyega, 2023, Informatics in Medicine Unlocked.

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

T. Dandekar, S. Shityakov, Carola Förster, 2015 .

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

T. Dandekar, S. Shityakov, Carola Förster, 2015 .

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

Ammar D. Elmezayen, O. Morozova, Wei Zhu, 2021, Journal of Molecular Structure.

Computational simulation and modeling of the blood–brain barrier pathology

C. Förster, S. Shityakov, 2018, Histochemistry and Cell Biology.

Hiv/aids – Research and Palliative Care Dovepress Gene Expression Profiles and Protein–protein Interaction Network Analysis in Aids Patients with Hiv-associated Encephalitis and Dementia

T. Dandekar, C. Förster, S. Shityakov, 2022 .

Effects of secondary carbon supplement on biofilm-mediated biodegradation of naphthalene by mutated naphthalene 1, 2-dioxygenase encoded by Pseudomonas putida strain KD9.

S. P. Moulik, A. Panda, S. Shityakov, 2018, Journal of hazardous materials.