Author

Aliye Demet Demirağ

Observed names: A. D. Demirag, A. Demet DEMİRAG, A. Demet Demirag, Aliye Demet Demirag, Demet Demirağ, Demirag, A. Demet

Institution: Yeditepe University

Observed institutions: Yeditepe University, Istanbul University

ORCID: 0000-0002-9609-9150

Observed ORCID: 0000-0002-9609-9150

OpenAlex ID: A5020697254

Molecular Docking Analysis of Used Drugs for the Treatment of Cancer

2021 · A. Demet Demirag, Sefa Çelik, et al. · Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi · 8

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Interactions mechanism of commonly used drugs for the treatment of Covid-19

2021 · S. Celik, A. D. Demirag, et al. · Bulletin of the Chemical Society of Ethiopia · 7

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Molecular Structure, Molecular Docking and Absorption, Distribution, Metabolism, Excretion and Toxicity study of cellulose II

2021 · Sefa Celik, Aliye Demet Demirag, et al. · Journal of the Chinese Chemical Society · 6

The inhibitory activity of Ruxolitinib against COVID-19 major protease enzyme and SARS CoV-2 spike glycoprotein: A molecular docking study

2023 · A. Demet DEMİRAG, Sefa ÇELİK, et al. · Open Journal of Nano · 4

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Phytochemical, in silico, and in vitro studies of wheatgrass (Triticum aestivum L.) juice powder

2026 · Aliye Demet Demirag, Bilge Bicak, et al. · Scientific Reports · 3

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Computational Investigation of the Interaction Mechanism of Some anti-Alzheimer Drugs with the Acetylcholinesterase Enzyme

2023 · Sefa ÇELİK, A. Demet DEMİRAG, et al. · Open Journal of Nano · 3

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An investigation on the vibrational analysis, molecular structure and interaction with the cellulase enzymes of the cellulose I alpha and cellulose I beta: DFT calculations, docking simulations

2025 · Aliye Demet Demirag, Sefa Celik, et al. · Bulletin of the Chemical Society of Ethiopia · 2

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Coronaviruses: Molecular Modeling and Docking Studies of Potential Drug Candidates Showing Anti-Covid-19 Activity

2022 · Sefa Celik, Aliye Demet Demirag, et al. · Apple Academic Press eBooks · 2

Molecular Structure, Vibrational Spectra, Molecular Docking, and ADMET Study of Cellulose Triacetate II

2020 · Sefa Celik, A. Demet Demirag, et al. · Optics and Spectroscopy · 2

Comprehensive quantum chemical analysis, vibrational spectroscopy, molecular docking, ADMET, and in vitro validation studies of hydroxychloroquine-MRGPRX2 complex in IDH-wildtype glioblastoma

2026 · Aliye Demet Demirag, Rahmi Atil Aksoy, et al. · PLoS ONE · 1

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In Silico Analysis of H-Lys-Asp-OH Dipeptide: DFT Optimization, Frontier Orbitals, Electrostatic Potential, EGFR/HER2 Docking and ADMET Profiling

2025 · Aliye Demet Demirağ · Cumhuriyet Science Journal · 1

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Molecular Docking Analysis on the Antiviral Effects of Curcumin on SARS-CoV-2

2022 · A. Demet DEMİRAG, Sefa ÇELİK, et al. · Bayburt Üniversitesi Fen Bilimleri Dergisi · 1

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Conformational, Toxic, Physicochemical and Molecular Docking Analysis of the Anticancer Acalabrutinib Molecule

2022 · Sefa ÇELİK, A. Demet DEMİRAG, et al. · Open Journal of Nano · 1

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H-Trp-Glu-OH and H-Glu-Trp-OH Dipeptides as Potential Anticancer Agents against Glioblastoma Multiforme: Multi-Target Molecular Docking, DFT Analysis, Molecular Dynamics Simulation, ADMET Profiling, and Cell Viability Validation

2026 · Aliye Demet Demirag · Computational Biology and Chemistry

Spectroscopic and In Silico Determination of the Structural and Antioxidant Properties of Essential Oils From Lavandula Species Cultivated in the Silivri Region of Istanbul

2026 · Bilge Bicak, Beray Kizilkaya, et al. · Journal of the American Oil Chemists Society

Comprehensive In Silico Characterization of Phenolic Compounds: Structural Optimization, Molecular Docking, and ADMET Profiling of Potential Syncytin-2 Inhibitors for Glioblastoma and Lung Cancer Therapeutics

2025 · Aliye Demet Demirağ, Hatice Güngör · Kocaeli Üniversitesi Sağlık Bilimleri Dergisi

Non-Invasive Screening Method for Non-Small Cell Lung Cancer (Nsclc) Using Dual-Modal Raman and Ft-Ir Spectroscopy Analysis

2025 · Aliye Demet Demirag, Bilge Bıçak, et al. · SSRN Electronic Journal

CXCR3-Flavonoid Interaction: A Novel Therapeutic Approach in Cancer Immunotherapy

2024 · Hatice Güngör, A. Demet Demirag · Kocaeli Üniversitesi Sağlık Bilimleri Dergisi

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Clarification Of The Structure Of 1,4-Bis(2-Chloro-4-Nitrophenyl)Piperazine Molecule And Its Molecular Docking Analysis With DNA

2022 · A. Demet DEMİRAG, Sefa ÇELİK, et al. · Bayburt Üniversitesi Fen Bilimleri Dergisi

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İntegrin İnhibitör Cyclo (Arg-Gly-Asp-D-Phe-Val) Peptidinin Moleküler Yapısı ve Kenetlenme Analizi

2021 · Çelik, Sefa, Demirag, A. Demet, et al. · Open Journal of Nano

N-[2-(3-Metiltiyo(1,2,4-Tiyadiazol-5-yltiyo))asetil]benzamid Molekülünün İntegrin ve DNA ile Moleküler Kenetlenme Analizi

2021 · Demirag, A. Demet, Çelik, Sefa, et al. · Open Journal of Nano

Molecular Structure, vibrational spectra, Molecular Docking and ADMET Study of Cellulose Triacetate II-=SUP=-*-=/SUP=-

2020 · Sefa Celik, A. Demet Demirag, et al. · Журнал технической физики

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Investigation of Cellulose Molecular Structure and Docking Study With BgI Enzyme

2018 · Demet Demirağ, Sefa Çeli̇k, et al.

Works count: 23

Citation count: 41

H-index: 4

I10-index: