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Design of enamides as new selective monoamine oxidase‐B inhibitors.
- Published in:
- Journal of Pharmacy & Pharmacology, 2020, v. 72, n. 7, p. 916, doi. 10.1111/jphp.13264
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- Publication type:
- Article
Trimethoxylated Halogenated Chalcones as Dual Inhibitors of MAO-B and BACE-1 for the Treatment of Neurodegenerative Disorders.
- Published in:
- Pharmaceutics, 2021, v. 13, n. 6, p. 850, doi. 10.3390/pharmaceutics13060850
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- Publication type:
- Article
Development of Halogenated-Chalcones Bearing with Dimethoxy Phenyl Head as Monoamine Oxidase-B Inhibitors.
- Published in:
- Pharmaceuticals (14248247), 2022, v. 15, n. 9, p. N.PAG, doi. 10.3390/ph15091152
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- Publication type:
- Article
Design, Synthesis and Biological Evaluation of Aromatase Inhibitors Based on Sulfonates and Sulfonamides of Resveratrol.
- Published in:
- Pharmaceuticals (14248247), 2021, v. 14, n. 10, p. 984, doi. 10.3390/ph14100984
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- Publication type:
- Article
Exploration of a new class of monoamine oxidase B inhibitors by assembling benzyloxy pharmacophore on halogenated chalcones.
- Published in:
- Chemical Biology & Drug Design, 2023, v. 102, n. 2, p. 271, doi. 10.1111/cbdd.14238
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- Publication type:
- Article
Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors.
- Published in:
- Chemical Biology & Drug Design, 2018, v. 92, n. 1, p. 1161, doi. 10.1111/cbdd.13200
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- Publication type:
- Article
Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness.
- Published in:
- Chemical Biology & Drug Design, 2016, v. 88, n. 6, p. 820, doi. 10.1111/cbdd.12811
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- Publication type:
- Article
PLATO: A Predictive Drug Discovery Web Platform for Efficient Target Fishing and Bioactivity Profiling of Small Molecules.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 9, p. 5245, doi. 10.3390/ijms23095245
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- Publication type:
- Article
Bcr-Abl Tyrosine Kinase Inhibitors in the Treatment of Pediatric CML.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 12, p. 4469, doi. 10.3390/ijms21124469
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- Publication type:
- Article
Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future.
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- International Journal of Molecular Sciences, 2016, v. 17, n. 7, p. 1119, doi. 10.3390/ijms17071119
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- Publication type:
- Article
Ethoxylated Head of Chalcones as a New Class of Multi‐Targeted MAO Inhibitors.
- Published in:
- ChemistrySelect, 2019, v. 4, n. 21, p. 6614, doi. 10.1002/slct.201901093
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- Publication type:
- Article
From Deep Learning to the Discovery of Promising VEGFR‐2 Inhibitors.
- Published in:
- ChemMedChem, 2024, v. 19, n. 16, p. 1, doi. 10.1002/cmdc.202400108
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- Publication type:
- Article
Selected 1,3‐Benzodioxine‐Containing Chalcones as Multipotent Oxidase and Acetylcholinesterase Inhibitors.
- Published in:
- ChemMedChem, 2020, v. 15, n. 23, p. 2257, doi. 10.1002/cmdc.202000491
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- Publication type:
- Article
A New Potent and Selective Monoamine Oxidase‐B Inhibitor with Extended Conjugation in a Chalcone Framework: 1‐[4‐(Morpholin‐4‐yl)phenyl]‐5‐phenylpenta‐2,4‐dien‐1‐one.
- Published in:
- ChemMedChem, 2020, v. 15, n. 17, p. 1629, doi. 10.1002/cmdc.202000305
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- Publication type:
- Article
Design, Synthesis, and Biological Evaluation of Tetrahydro‐β‐carboline Derivatives as Selective Sub‐Nanomolar Gelatinase Inhibitors.
- Published in:
- ChemMedChem, 2018, v. 13, n. 13, p. 1343, doi. 10.1002/cmdc.201800237
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- Publication type:
- Article
A Chemocentric Approach to the Identification of Cancer Targets.
- Published in:
- PLoS ONE, 2012, v. 7, n. 4, p. 1, doi. 10.1371/journal.pone.0035582
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- Publication type:
- Article
Insights into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations.
- Published in:
- PLoS ONE, 2011, v. 6, n. 10, p. 1, doi. 10.1371/journal.pone.0025597
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- Publication type:
- Article
New Insights Regarding Hemin Inhibition of the Purified Rat Brain 2-Oxoglutarate Carrier and Relationships with Mitochondrial Dysfunction.
- Published in:
- Journal of Clinical Medicine, 2022, v. 11, n. 24, p. 7519, doi. 10.3390/jcm11247519
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- Publication type:
- Article
Cover Feature: Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane (ChemistryOpen 5/2018).
- Published in:
- ChemistryOpen, 2018, v. 7, n. 5, p. 311, doi. 10.1002/open.201800052
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- Publication type:
- Article
Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane.
- Published in:
- ChemistryOpen, 2018, v. 7, n. 5, p. 319, doi. 10.1002/open.201800013
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- Publication type:
- Article
The Interaction of Hemin, a Porphyrin Derivative, with the Purified Rat Brain 2-Oxoglutarate Carrier.
- Published in:
- Biomolecules (2218-273X), 2021, v. 11, n. 8, p. 1175, doi. 10.3390/biom11081175
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- Publication type:
- Article
Mind the Gap! A Journey towards Computational Toxicology.
- Published in:
- Molecular Informatics, 2016, v. 35, n. 8/9, p. 294, doi. 10.1002/minf.201501017
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- Publication type:
- Article
Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement.
- Published in:
- Molecular Informatics, 2011, v. 30, n. 2/3, p. 133, doi. 10.1002/minf.201000126
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- Publication type:
- Article
A generalizable definition of chemical similarity for read-across.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0039-1
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- Publication type:
- Article
Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering.
- Published in:
- BMC Bioinformatics, 2010, v. 11, p. 500, doi. 10.1186/1471-2105-11-500
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- Publication type:
- Article
Synthesis and biological evaluation of 3,5‐diaryl‐pyrazole derivatives as potential antiprostate cancer agents.
- Published in:
- Archiv der Pharmazie, 2021, v. 354, n. 12, p. 1, doi. 10.1002/ardp.202100225
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- Publication type:
- Article
Pleiotropic Effects of Direct Oral Anticoagulants in Chronic Heart Failure and Atrial Fibrillation: Machine Learning Analysis.
- Published in:
- Molecules, 2024, v. 29, n. 11, p. 2651, doi. 10.3390/molecules29112651
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- Publication type:
- Article
Investigation on Novel E/Z 2-Benzylideneindan-1-One-Based Photoswitches with AChE and MAO-B Dual Inhibitory Activity.
- Published in:
- Molecules, 2023, v. 28, n. 15, p. 5857, doi. 10.3390/molecules28155857
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- Publication type:
- Article
Assessing the Role of a Malonamide Linker in the Design of Potent Dual Inhibitors of Factor Xa and Cholinesterases.
- Published in:
- Molecules, 2022, v. 27, n. 13, p. 4269, doi. 10.3390/molecules27134269
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- Publication type:
- Article
Development of a Novel Class of Pyridazinone Derivatives as Selective MAO-B Inhibitors.
- Published in:
- Molecules, 2022, v. 27, n. 12, p. 3801, doi. 10.3390/molecules27123801
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- Publication type:
- Article
Growth hormone secretagogues modulate inflammation and fibrosis in mdx mouse model of Duchenne muscular dystrophy.
- Published in:
- Frontiers in Immunology, 2023, v. 14, p. 1, doi. 10.3389/fimmu.2023.1119888
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- Publication type:
- Article
Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies.
- Published in:
- FASEB Journal, 2016, v. 30, n. 10, p. 3285, doi. 10.1096/fj.201500079R
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- Publication type:
- Article
Inhibition of Cholinesterases by Benzothiazolone Derivatives.
- Published in:
- Processes, 2022, v. 10, n. 9, p. N.PAG, doi. 10.3390/pr10091872
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- Publication type:
- Article
Synthesis of N ′-(4-/3-/2-/Non-substituted benzylidene)-4-[(4-methylphenyl)sulfonyloxy] Benzohydrazides and Evaluation of Their Inhibitory Activities against Monoamine Oxidases and β-Secretase.
- Published in:
- Applied Sciences (2076-3417), 2021, v. 11, n. 13, p. 5830, doi. 10.3390/app11135830
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- Publication type:
- Article
Small Molecules for the Treatment of Long-COVID-Related Vascular Damage and Abnormal Blood Clotting: A Patent-Based Appraisal.
- Published in:
- Viruses (1999-4915), 2024, v. 16, n. 3, p. 450, doi. 10.3390/v16030450
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- Publication type:
- Article
MzDOCK: A free ready‐to‐use GUI‐based pipeline for molecular docking simulations.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 1980, doi. 10.1002/jcc.27390
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- Publication type:
- Article
1‐Oxa‐2,6‐Diazaspiro[3.3]heptane as a New Potential Piperazine Bioisostere – Flow‐Assisted Preparation and Derivatisation by Strain‐Release of Azabicyclo[1.1.0]butanes.
- Published in:
- Advanced Synthesis & Catalysis, 2024, v. 366, n. 18, p. 3894, doi. 10.1002/adsc.202400781
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- Publication type:
- Article
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 2, p. 117, doi. 10.1007/s10822-010-9320-1
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- Publication type:
- Article
Pharmacovigilance database search discloses ClC-K channels as a novel target of the AT<sub>1</sub> receptor blockers valsartan and olmesartan.
- Published in:
- 2017
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- Publication type:
- journal article
Application of Computational Methods in Replacement - an IPAM Webinar.
- Published in:
- Altex, 2021, v. 38, n. 2, p. 348, doi. 10.14573/altex.2102011
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- Publication type:
- Article
A k-NN Algorithm for Predicting Oral Sub-Chronic Toxicity in the Rat.
- Published in:
- Altex, 2014, v. 31, n. 4, p. 423, doi. 10.14573/altex.1405091s
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- Publication type:
- Article
An Alternative QSAR-Based Approach for Predicting the Bioconcentration Factor for Regulatory Purposes.
- Published in:
- Altex, 2014, p. 23, doi. 10.14573/altex.1305221
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- Publication type:
- Article
Chalcones with N‐Methylpiperazine Moiety: Synthesis, Monoamine Oxidase Inhibition, Neuroprotective Effect and Computer Simulation Study.
- Published in:
- ChemistrySelect, 2024, v. 9, n. 14, p. 1, doi. 10.1002/slct.202400465
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- Publication type:
- Article
Current Progress in Quinazoline Derivatives as Acetylcholinesterase and Monoamine Oxidase Inhibitors.
- Published in:
- ChemistrySelect, 2021, v. 6, n. 28, p. 7162, doi. 10.1002/slct.202101077
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- Publication type:
- Article
Recent Advances in the Discovery of Novel Drugs on Natural Molecules.
- Published in:
- Biomedicines, 2024, v. 12, n. 6, p. 1254, doi. 10.3390/biomedicines12061254
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- Publication type:
- Article
Rational Discovery of Antiviral Whey Protein-Derived Small Peptides Targeting the SARS-CoV-2 Main Protease.
- Published in:
- Biomedicines, 2022, v. 10, n. 5, p. 1067, doi. 10.3390/biomedicines10051067
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- Publication type:
- Article
Generation of Stilbene Glycoside with Promising Cell Rejuvenation Activity through Biotransformation by the Entomopathogenic Fungus Beauveria bassiana.
- Published in:
- Biomedicines, 2021, v. 9, n. 5, p. 555, doi. 10.3390/biomedicines9050555
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- Publication type:
- Article
N-Alkylation of Anthracycline Antibiotics by Natural Sesquiterpene Lactones as a Way to Obtain Antitumor Agents with Reduced Side Effects.
- Published in:
- Biomedicines, 2021, v. 9, n. 5, p. 547, doi. 10.3390/biomedicines9050547
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- Publication type:
- Article
Optimized Synthesis of New N-Mustards Based on 2-Mercaptobenzoxazole Derivatives with Antitumor Activity.
- Published in:
- Biomedicines, 2021, v. 9, n. 5, p. 476, doi. 10.3390/biomedicines9050476
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- Publication type:
- Article
Short-term anti-remodeling effects of gliflozins in diabetic patients with heart failure and reduced ejection fraction: an explainable artificial intelligence approach.
- Published in:
- Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1175606
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- Publication type:
- Article