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MzDOCK: A free ready‐to‐use GUI‐based pipeline for molecular docking simulations.
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- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 1980, doi. 10.1002/jcc.27390
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- Article
Chalcones with N‐Methylpiperazine Moiety: Synthesis, Monoamine Oxidase Inhibition, Neuroprotective Effect and Computer Simulation Study.
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- ChemistrySelect, 2024, v. 9, n. 14, p. 1, doi. 10.1002/slct.202400465
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- Article
Small Molecules for the Treatment of Long-COVID-Related Vascular Damage and Abnormal Blood Clotting: A Patent-Based Appraisal.
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- Viruses (1999-4915), 2024, v. 16, n. 3, p. 450, doi. 10.3390/v16030450
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- Article
Making sense of chemical space network shows signs of criticality.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-48107-3
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New Insights Regarding Hemin Inhibition of the Purified Rat Brain 2-Oxoglutarate Carrier and Relationships with Mitochondrial Dysfunction.
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- Journal of Clinical Medicine, 2022, v. 11, n. 24, p. 7519, doi. 10.3390/jcm11247519
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- Article
Development of Halogenated-Chalcones Bearing with Dimethoxy Phenyl Head as Monoamine Oxidase-B Inhibitors.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 9, p. N.PAG, doi. 10.3390/ph15091152
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- Article
Assessing the Role of a Malonamide Linker in the Design of Potent Dual Inhibitors of Factor Xa and Cholinesterases.
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- Molecules, 2022, v. 27, n. 13, p. 4269, doi. 10.3390/molecules27134269
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Development of a Novel Class of Pyridazinone Derivatives as Selective MAO-B Inhibitors.
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- Molecules, 2022, v. 27, n. 12, p. 3801, doi. 10.3390/molecules27123801
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- Article
Rational Discovery of Antiviral Whey Protein-Derived Small Peptides Targeting the SARS-CoV-2 Main Protease.
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- Biomedicines, 2022, v. 10, n. 5, p. 1067, doi. 10.3390/biomedicines10051067
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- Article
PLATO: A Predictive Drug Discovery Web Platform for Efficient Target Fishing and Bioactivity Profiling of Small Molecules.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 9, p. 5245, doi. 10.3390/ijms23095245
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Synthesis and biological evaluation of 3,5‐diaryl‐pyrazole derivatives as potential antiprostate cancer agents.
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- Archiv der Pharmazie, 2021, v. 354, n. 12, p. 1, doi. 10.1002/ardp.202100225
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- Article
Selected Class of Enamides Bearing Nitro Functionality as Dual-Acting with Highly Selective Monoamine Oxidase-B and BACE1 Inhibitors.
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- Molecules, 2021, v. 26, n. 19, p. 6004, doi. 10.3390/molecules26196004
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Design, Synthesis and Biological Evaluation of Aromatase Inhibitors Based on Sulfonates and Sulfonamides of Resveratrol.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 10, p. 984, doi. 10.3390/ph14100984
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- Article
First-in-Class Isonipecotamide-Based Thrombin and Cholinesterase Dual Inhibitors with Potential for Alzheimer Disease.
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- Molecules, 2021, v. 26, n. 17, p. 5208, doi. 10.3390/molecules26175208
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- Article
The Interaction of Hemin, a Porphyrin Derivative, with the Purified Rat Brain 2-Oxoglutarate Carrier.
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- Biomolecules (2218-273X), 2021, v. 11, n. 8, p. 1175, doi. 10.3390/biom11081175
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- Article
Piperazine-substituted chalcones: a new class of MAO-B, AChE, and BACE-1 inhibitors for the treatment of neurological disorders.
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- Environmental Science & Pollution Research, 2021, v. 28, n. 29, p. 38855, doi. 10.1007/s11356-021-13320-y
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- 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.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 13, p. 5830, doi. 10.3390/app11135830
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Trimethoxylated Halogenated Chalcones as Dual Inhibitors of MAO-B and BACE-1 for the Treatment of Neurodegenerative Disorders.
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- Pharmaceutics, 2021, v. 13, n. 6, p. 850, doi. 10.3390/pharmaceutics13060850
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- Article
MD simulation of the interaction between sialoglycans and the second sialic acid binding site of influenza A virus N1 neuraminidase.
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- Biochemical Journal, 2021, v. 478, n. 2, p. 423, doi. 10.1042/BCJ20200670
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Selected 1,3‐Benzodioxine‐Containing Chalcones as Multipotent Oxidase and Acetylcholinesterase Inhibitors.
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- ChemMedChem, 2020, v. 15, n. 23, p. 2257, doi. 10.1002/cmdc.202000491
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- Article
Pharmacophore Modeling and 3D-QSAR Study of Indole and Isatin Derivatives as Antiamyloidogenic Agents Targeting Alzheimer's Disease †.
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- Molecules, 2020, v. 25, n. 23, p. 5773, doi. 10.3390/molecules25235773
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- Article
Design, Synthesis, and Biological Evaluation of Pyridazinones Containing the (2-Fluorophenyl) Piperazine Moiety as Selective MAO-B Inhibitors.
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- Molecules, 2020, v. 25, n. 22, p. 5371, doi. 10.3390/molecules25225371
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- Article
Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to.
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- Molecules, 2020, v. 25, n. 18, p. 4210, doi. 10.3390/molecules25184210
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- 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.
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- ChemMedChem, 2020, v. 15, n. 17, p. 1629, doi. 10.1002/cmdc.202000305
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- Article
Novel Class of Chalcone Oxime Ethers as Potent Monoamine Oxidase-B and Acetylcholinesterase Inhibitors.
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- Molecules, 2020, v. 25, n. 10, p. 2356, doi. 10.3390/molecules25102356
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Development of a Rapid Mass Spectrometric Determination of AMP and Cyclic AMP for PDE3 Activity Study: Application and Computational Analysis for Evaluating the Effect of a Novel 2-oxo-1,2-dihydropyridine-3-carbonitrile Derivative as PDE-3 Inhibitor.
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- Molecules, 2020, v. 25, n. 8, p. 1817, doi. 10.3390/molecules25081817
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CRAT missense variants cause abnormal carnitine acetyltransferase function in an early‐onset case of Leigh syndrome.
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- Human Mutation, 2020, v. 41, n. 1, p. 110, doi. 10.1002/humu.23901
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FAD/NADH Dependent Oxidoreductases: From Different Amino Acid Sequences to Similar Protein Shapes for Playing an Ancient Function.
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- Journal of Clinical Medicine, 2019, v. 8, n. 12, p. 2117, doi. 10.3390/jcm8122117
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- Article