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QSAR and Chemical Read-Across Analysis of 370 Potential MGMT Inactivators to Identify the Structural Features Influencing Inactivation Potency.
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- Pharmaceutics, 2023, v. 15, n. 8, p. 2170, doi. 10.3390/pharmaceutics15082170
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- Article
BMP/Smad Pathway Is Involved in Lithium Carbonate-Induced Neural-Tube Defects in Mice and Neural Stem Cells.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 23, p. 14831, doi. 10.3390/ijms232314831
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- Article
Quantitative Structure-Activity Relationship (QSAR) Studies on the Toxic Effects of Nitroaromatic Compounds (NACs): A Systematic Review.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 16, p. 8557, doi. 10.3390/ijms22168557
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- Article
Reductive Activity and Mechanism of Hypoxia- Targeted AGT Inhibitors: An Experimental and Theoretical Investigation.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 24, p. 6308, doi. 10.3390/ijms20246308
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- Article
QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 10, p. 3015, doi. 10.3390/ijms19103015
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- Article
Insights into the Impact of Linker Flexibility and Fragment Ionization on the Design of CK2 Allosteric Inhibitors: Comparative Molecular Dynamics Simulation Studies.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 1, p. 111, doi. 10.3390/ijms19010111
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- Article
The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods.
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- Archives of Toxicology, 2024, v. 98, n. 7, p. 2213, doi. 10.1007/s00204-024-03739-w
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- Article
DFT investigations of phosphotriesters hydrolysis in aqueous solution: a model for DNA single strand scission induced by N-nitrosoureas.
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- Journal of Molecular Modeling, 2013, v. 19, n. 2, p. 647, doi. 10.1007/s00894-012-1592-z
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- Article
Water Carcinogenicity and Prevalence of HPV Infection in Esophageal Cancer Patients in Huaihe River Basin, China.
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- Gastroenterology Research & Practice, 2018, p. 1, doi. 10.1155/2018/2028986
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- Article
Comparative theoretical investigation of the formation of DNA interstrand crosslinks induced by two kinds of Af-nitroso compounds: nitrosoureas and nitrosamines.
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- Journal of Physical Organic Chemistry, 2012, v. 25, n. 12, p. 1153, doi. 10.1002/poc.2970
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- Article
Influence of the Expression Level of O<sup>6</sup>-Alkylguanine-DNA Alkyltransferase on the Formation of DNA Interstrand Crosslinks Induced by Chloroethylnitrosoureas in Cells: A Quantitation Using High-Performance Liquid Chromatography-Mass Spectrometry.
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- PLoS ONE, 2015, v. 10, n. 3, p. 1, doi. 10.1371/journal.pone.0121225
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- Article
Mechanical properties and in vivo performance of a novel sliding-lock bioabsorbable poly- p-dioxanone stent.
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- Journal of Materials Science: Materials in Medicine, 2011, v. 22, n. 10, p. 2319, doi. 10.1007/s10856-011-4407-3
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- Article
The Potential of Lonidamine in Combination with Chemotherapy and Physical Therapy in Cancer Treatment.
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- Cancers, 2020, v. 12, n. 11, p. 3332, doi. 10.3390/cancers12113332
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- Article
Tumor Energy Metabolism and Potential of 3-Bromopyruvate as an Inhibitor of Aerobic Glycolysis: Implications in Tumor Treatment.
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- Cancers, 2019, v. 11, n. 3, p. 317, doi. 10.3390/cancers11030317
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- Article
Quantification of DNA interstrand crosslinks induced by ACNU in NIH/3T3 and L1210 cells using high-performance liquid chromatography/electrospray ionization tandem mass spectrometry.
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- Rapid Communications in Mass Spectrometry: RCM, 2014, v. 28, n. 5, p. 439, doi. 10.1002/rcm.6800
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- Article
Abruptly autofocusing property of circular Pearcey vortex beams with different initial launch angles in harmonic potentials.
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- Optica Applicata, 2022, v. 52, n. 3, p. 417, doi. 10.37190/oa220308
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- Article
Identification of Pharmacophoric Fragments of DYRK1A Inhibitors Using Machine Learning Classification Models.
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- Molecules, 2022, v. 27, n. 6, p. 1753, doi. 10.3390/molecules27061753
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- Article
Relationship between the molecular structure and the anticancer activity of N-(2-chloroethyl)- N′-cyclohexyl- N-nitrosoureas: A theoretical investigation.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 3, p. 747, doi. 10.1002/qua.23042
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- Article
Case report: cold medicines cause neuroleptic malignant-like syndrome in a patient with Parkinson's disease.
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- 2022
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- Case Study
Machine Learning Models for the Classification of CK2 Natural Products Inhibitors with Molecular Fingerprint Descriptors.
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- Processes, 2021, v. 9, n. 11, p. 2074, doi. 10.3390/pr9112074
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- Article
Quantification of.
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- Rapid Communications in Mass Spectrometry: RCM, 2011, v. 25, n. 14, p. 2027, doi. 10.1002/rcm.5064
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- Article
Metabolic Activation and Carcinogenesis of Tobacco-Specific Nitrosamine N'-Nitrosonornicotine (NNN): A Density Function Theory and Molecular Docking Study.
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- International Journal of Environmental Research & Public Health, 2019, v. 16, n. 2, p. 178, doi. 10.3390/ijerph16020178
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- Article
Chemopreventive Role of Apigenin against the Synergistic Carcinogenesis of Human Papillomavirus and 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone.
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- Biomedicines, 2020, v. 8, n. 11, p. 472, doi. 10.3390/biomedicines8110472
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- Article
A multi-functional hypoxia/esterase dual stimulus responsive and hyaluronic acid-based nanomicelle for targeting delivery of chloroethylnitrosouea.
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- Journal of Nanobiotechnology, 2023, v. 21, n. 1, p. 1, doi. 10.1186/s12951-023-02062-3
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- Article
Identification and Biological Evaluation of CK2 Allosteric Fragments through Structure-Based Virtual Screening.
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- Molecules, 2020, v. 25, n. 1, p. 237, doi. 10.3390/molecules25010237
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- Article
In Silico Prediction of O6-Methylguanine-DNA Methyltransferase Inhibitory Potency of Base Analogs with QSAR and Machine Learning Methods.
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- Molecules, 2018, v. 23, n. 11, p. 2892, doi. 10.3390/molecules23112892
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- Article
Exploring the Pivotal Role of the CK2 Hinge Region Sub-Pocket in Binding with Tricyclic Quinolone Analogues by Computational Analysis.
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- Molecules, 2017, v. 22, n. 5, p. 840, doi. 10.3390/molecules22050840
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- Article
Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking.
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- Molecules, 2016, v. 21, n. 7, p. 823, doi. 10.3390/molecules21070823
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- Article
1′H-Indole-3′-Carbonyl-Thiazole-4-Carboxylic Acid Methyl Ester Blocked Human Glioma Cell Invasion via Aryl Hydrocarbon Receptor's Regulation of Cytoskeletal Contraction.
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- BioMed Research International, 2020, p. 1, doi. 10.1155/2020/2616930
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- Article
Integrative proteomics and n-glycoproteomics reveal the synergistic anti-tumor effects of aspirin- and gemcitabine-based chemotherapy on pancreatic cancer cells.
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- Cellular Oncology (2211-3428), 2024, v. 47, n. 1, p. 141, doi. 10.1007/s13402-023-00856-z
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- Article