Experimental and Theoretical Approaches in the Study of Phenanthroline‐Tetrahydroquinolines for Alzheimer's Disease.
- Published in:
- ChemistryOpen, 2019, v. 8, n. 5, p. 627, doi. 10.1002/open.201900073
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- Publication type:
- Article
Works by Alzate-Morales, Jans
Results: 19
1
2
Computational Studies of Snake Venom Toxins.
- Published in:
- Toxins, 2018, v. 10, n. 1, p. 8, doi. 10.3390/toxins10010008
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- Publication type:
- Article
3
Similarities between the Binding Sites of SB-206553 at Serotonin Type 2 and Alpha7 Acetylcholine Nicotinic Receptors: Rationale for Its Polypharmacological Profile.
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- PLoS ONE, 2015, v. 10, n. 8, p. 1, doi. 10.1371/journal.pone.0134444
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- Publication type:
- Article
4
Inhibition of key enzymes in the inflammatory pathway by hybrid molecules of terpenes and synthetic drugs: In vitro and in silico studies.
- Published in:
- Chemical Biology & Drug Design, 2019, v. 93, n. 3, p. 290, doi. 10.1111/cbdd.13415
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- Publication type:
- Article
5
Combined molecular modelling and 3D-QSAR study for understanding the inhibition of NQO1 by heterocyclic quinone derivatives.
- Published in:
- Chemical Biology & Drug Design, 2018, v. 91, n. 1, p. 29, doi. 10.1111/cbdd.13051
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- Publication type:
- Article
6
Novel N-allyl/propargyl tetrahydroquinolines: Synthesis via Three-component Cationic Imino Diels-Alder Reaction, Binding Prediction, and Evaluation as Cholinesterase Inhibitors.
- Published in:
- Chemical Biology & Drug Design, 2016, v. 88, n. 4, p. 498, doi. 10.1111/cbdd.12773
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- Publication type:
- Article
7
Front Cover: Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations. (ChemCatChem 17/2023).
- Published in:
- ChemCatChem, 2023, v. 15, n. 17, p. 1, doi. 10.1002/cctc.202301008
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- Publication type:
- Article
8
Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations.
- Published in:
- ChemCatChem, 2023, v. 15, n. 17, p. 1, doi. 10.1002/cctc.202300344
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- Publication type:
- Article
9
Docking and quantitative structure-activity relationship studies for 3-fluoro-4-(pyrrolo[2,1- f][1,2,4]triazin-4-yloxy)aniline, 3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline, and 4-(4-amino-2-fluorophenoxy)-2-pyridinylamine derivatives as c-Met kinase inhibitors
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 4, p. 349, doi. 10.1007/s10822-011-9425-1
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- Publication type:
- Article
10
Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational Study.
- Published in:
- PLoS ONE, 2016, v. 11, n. 4, p. 1, doi. 10.1371/journal.pone.0153057
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- Publication type:
- Article
11
Selective Interaction of Lansoprazole and Astemizole with Tau Polymers: Potential New Clinical Use in Diagnosis of Alzheimer's Disease.
- Published in:
- Journal of Alzheimer's Disease, 2010, v. 19, n. 2, p. 573, doi. 10.3233/JAD-2010-1262
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- Publication type:
- Article
12
Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM study.
- Published in:
- PLoS ONE, 2019, v. 14, n. 9, p. 1, doi. 10.1371/journal.pone.0215793
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- Publication type:
- Article
13
Tetrahydroquinoline-Isoxazole/Isoxazoline Hybrid Compounds as Potential Cholinesterases Inhibitors: Synthesis, Enzyme Inhibition Assays, and Molecular Modeling Studies.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 1, p. 5, doi. 10.3390/ijms21010005
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- Publication type:
- Article
14
On the Reaction Mechanism of the 3,4-Dimethoxybenzaldehyde Formation from 1-(3′,4′-Dimethoxyphenyl)Propene.
- Published in:
- Molecules, 2018, v. 23, n. 2, p. 412, doi. 10.3390/molecules23020412
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- Article
15
Synthesis of Bistetrahydroquinolines as Potential Anticholinesterasic Agents by Double Diels-Alder Reactions.
- Published in:
- Molecules, 2013, v. 18, n. 10, p. 12951, doi. 10.3390/molecules181012951
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- Publication type:
- Article
16
A Novel Class of Selective Acetylcholinesterase Inhibitors: Synthesis and Evaluation of (E)-2-(Benzo[d]thiazol-2-yl)-3- heteroarylacrylonitriles.
- Published in:
- Molecules, 2012, v. 17, n. 10, p. 12072, doi. 10.3390/molecules171012072
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- Publication type:
- Article
17
Novel Coumarin‐Quinoline Hybrids: Design of Multitarget Compounds for Alzheimer's Disease.
- Published in:
- ChemistrySelect, 2019, v. 4, n. 2, p. 551, doi. 10.1002/slct.201803222
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- Publication type:
- Article
18
Crystal structure and molecular dynamics simulations of a promiscuous ancestor reveal residues and an epistatic interaction involved in substrate binding and catalysis in the ATP‐dependent vitamin kinase family members.
- Published in:
- Protein Science: A Publication of the Protein Society, 2021, v. 30, n. 4, p. 842, doi. 10.1002/pro.4040
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- Publication type:
- Article
19
Studying the binding mechanisms of veratryl alcohol to P. chrysosporium lignin peroxidase: insights from theoretical approaches.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 3, p. 1, doi. 10.1007/s00214-016-1828-6
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- Publication type:
- Article