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24 results on '"Kanaan, Natalia"'

1. Supplementary Figure 5 from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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2. Supplementary Figure 3 from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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3. Supplementary Figure 4 from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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4. Supplementary Figure 2 from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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5. Supplementary Figure 6 from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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6. Supplementary Figure 1 from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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7. Supplementary Materials and Methods from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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8. Data from Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., primary, Lack, Nathan A., primary, Axerio-Cilies, Peter, primary, Leblanc, Eric, primary, Tavassoli, Peyman, primary, Kanaan, Natalia, primary, Frewin, Kate, primary, Singh, Kriti, primary, Adomat, Hans, primary, Böhm, Konrad J., primary, Prinz, Helge, primary, Guns, Emma Tomlinson, primary, Rennie, Paul S., primary, and Cherkasov, Artem, primary

Published
2023
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9. A quantum mechanics/molecular mechanics study of the catalytic mechanism of the thymidylate synthase

Author

Kanaan, Natalia, Marti, Sergio, Moliner, Vicent, and Kohen, Amnon

Subjects
Quantum theory -- Analysis, Thymidine -- Mechanical properties, Thymidine -- Structure, Heterogeneous catalysis -- Analysis, Biological sciences, Chemistry
Abstract

Hybrid quantum mechanics/molecular mechanics methods are used to study the molecular mechanism of the thymidylate synthase-catalyzed reaction. It is revealed that there are several new features of substantial mechanistic interest in the complete multistep enzyme mechanism.

Published
2007

13. Base Flip in DNA Studied by Molecular Dynamics Simulationsof Differently-Oxidized Forms of Methyl-Cytosine

Author

Helabad, Mahdi Bagherpoor, Kanaan, Natalia, and Imhof, Petra

Subjects
DNA recognition, base flip, DNA, molecular dynamics simulations, Molecular Dynamics Simulation, Article, lcsh:Chemistry, lcsh:Biology (General), lcsh:QD1-999, 5-Methylcytosine, DNA damage, Base Pairing, lcsh:QH301-705.5
Abstract

Distortions in the DNA sequence, such as damage or mispairs, are specifically recognized and processed by DNA repair enzymes. Many repair proteins and, in particular, glycosylases flip the target base out of the DNA helix into the enzyme’s active site. Our molecular dynamics simulations of DNA with intact and damaged (oxidized) methyl-cytosine show that the probability of being flipped is similar for damaged and intact methyl-cytosine. However, the accessibility of the different 5-methyl groups allows direct discrimination of the oxidized forms. Hydrogen-bonded patterns that vary between methyl-cytosine forms carrying a carbonyl oxygen atom are likely to be detected by the repair enzymes and may thus help target site recognition.

Published
2014
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15. Characterization of a New Class of Androgen Receptor Antagonists with Potential Therapeutic Application in Advanced Prostate Cancer

Author

Li, Huifang, primary, Hassona, Mohamed D.H., additional, Lack, Nathan A., additional, Axerio-Cilies, Peter, additional, Leblanc, Eric, additional, Tavassoli, Peyman, additional, Kanaan, Natalia, additional, Frewin, Kate, additional, Singh, Kriti, additional, Adomat, Hans, additional, Böhm, Konrad J., additional, Prinz, Helge, additional, Guns, Emma Tomlinson, additional, Rennie, Paul S., additional, and Cherkasov, Artem, additional

Published
2013
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16. SPARC/SFN interaction, suppresses type I collagen in dermal fibroblasts

Author

Chavez‐Muñoz, Claudia, primary, Hartwell, Ryan, additional, Jalili, Reza B., additional, Jafarnejad, Seyed Mehdi, additional, Lai, Amy, additional, Nabai, Layla, additional, Ghaffari, Abdi, additional, Hojabrpour, Peymon, additional, Kanaan, Natalia, additional, Duronio, Vincent, additional, Guns, Emma, additional, Cherkasov, Artem, additional, and Ghahary, Aziz, additional

Published
2012
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23. Base Flip in DNA Studied by Molecular Dynamics Simulations of Differently-Oxidized Forms of Methyl-Cytosine.

Author

Helabad, Mahdi Bagherpoor, Kanaan, Natalia, and Imhof, Petra

Subjects
MOLECULAR dynamics, NUCLEOTIDE sequence, DNA repair, GLYCOSYLASES, DNA damage, DNA-binding proteins
Abstract

Distortions in the DNA sequence, such as damage or mispairs, are specifically recognized and processed by DNA repair enzymes. Many repair proteins and, in particular, glycosylases flip the target base out of the DNA helix into the enzyme's active site. Our molecular dynamics simulations of DNA with intact and damaged (oxidized) methyl-cytosine show that the probability of being flipped is similar for damaged and intact methyl-cytosine. However, the accessibility of the different 5-methyl groups allows direct discrimination of the oxidized forms. Hydrogen-bonded patterns that vary between methyl-cytosine forms carrying a carbonyl oxygen atom are likely to be detected by the repair enzymes and may thus help target site recognition. [ABSTRACT FROM AUTHOR]

Published
2014
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24. A quantum mechanics/molecular mechanics study of the protein-ligand interaction of two potent inhibitors of human O-GlcNAcase: PUGNAc and NAG-thiazoline.

Author

Lameira J, Alves CN, Moliner V, Martí S, Kanaan N, and Tuñón I

Subjects
Acetylglucosamine chemistry, Acetylglucosamine metabolism, Acetylglucosamine pharmacology, Binding Sites, Biocatalysis drug effects, Drug Design, Enzyme Inhibitors metabolism, Enzyme Inhibitors pharmacology, Humans, Ligands, Molecular Conformation, Oximes metabolism, Oximes pharmacology, Phenylcarbamates metabolism, Phenylcarbamates pharmacology, Protein Binding, Protons, Static Electricity, Thermodynamics, Thiazoles metabolism, Thiazoles pharmacology, beta-N-Acetylhexosaminidases metabolism, Acetylglucosamine analogs & derivatives, Enzyme Inhibitors chemistry, Models, Molecular, Oximes chemistry, Phenylcarbamates chemistry, Quantum Theory, Thiazoles chemistry, beta-N-Acetylhexosaminidases antagonists & inhibitors, beta-N-Acetylhexosaminidases chemistry
Abstract

O-glycoprotein 2-acetamino-2-deoxy-beta- d-glucopyranosidase ( O-GlcNAcase) hydrolyzes 2-acetamido-2-deoxy-beta- d-glucopyranose ( O-GlcNAc) residues of serine/threonine residues of modified proteins. O-GlcNAc is present in many intracellular proteins and appears to have a role in the etiology of several diseases including cancer, Alzheimer's disease, and type II diabetes. In this work, we have carried out molecular dynamics simulations using a hybrid quantum mechanics/molecular mechanics approach to determine the binding of two potent inhibitors, PUGNAc and NAG, with a bacterial O-GlcNAcase. The results of these simulations show that Asp-401, Asp-298, and Asp-297 residues play an important role in the protein-inhibitor interactions. These results might be useful to design compounds with more interesting inhibitory activity on the basis of its three-dimensional structure.

Published
2008
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