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Machine Learning Classification Models to Improve the Docking‐based Screening: A Case of PI3K‐Tankyrase Inhibitors.
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- Molecular Informatics, 2018, v. 37, n. 11, p. N.PAG, doi. 10.1002/minf.201800030
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- Article
Bis-γ-carbolines as new potential multitarget agents for Alzheimer's disease.
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- Pure & Applied Chemistry, 2020, v. 92, n. 7, p. 1057, doi. 10.1515/pac-2019-1206
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- Article
Conformational Dynamics and Stability of Bilayers Formed by Mycolic Acids from the Mycobacterium tuberculosis Outer Membrane.
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- Molecules, 2023, v. 28, n. 3, p. 1347, doi. 10.3390/molecules28031347
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- Article
Machine Learning Prediction of Mycobacterial Cell Wall Permeability of Drugs and Drug-like Compounds.
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- Molecules, 2023, v. 28, n. 2, p. 633, doi. 10.3390/molecules28020633
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- Article
Novel Nanomolar Allosteric Modulators of AMPA Receptor of Bis(pyrimidine) Series: Synthesis, Biotesting and SAR Analysis.
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- Molecules, 2022, v. 27, n. 23, p. 8252, doi. 10.3390/molecules27238252
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- Article
Synthesis and Cytotoxic Activity of 1,2,4-Triazolo-Linked Bis -Indolyl Conjugates as Dual Inhibitors of Tankyrase and PI3K.
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- Molecules, 2022, v. 27, n. 21, p. 7642, doi. 10.3390/molecules27217642
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- Article
Bis-Amiridines as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: N -Functionalization Determines the Multitarget Anti-Alzheimer's Activity Profile.
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- Molecules, 2022, v. 27, n. 3, p. 1060, doi. 10.3390/molecules27031060
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- Article
A Facile Approach to Bis(isoxazoles), Promising Ligands of the AMPA Receptor.
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- Molecules, 2021, v. 26, n. 21, p. 6411, doi. 10.3390/molecules26216411
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- Article
Towards Deep Neural Network Models for the Prediction of the Blood–Brain Barrier Permeability for Diverse Organic Compounds.
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- Molecules, 2020, v. 25, n. 24, p. 5901, doi. 10.3390/molecules25245901
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- Article
New Multifunctional Agents Based on Conjugates of 4-Amino-2,3-polymethylenequinoline and Butylated Hydroxytoluene for Alzheimer's Disease Treatment.
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- Molecules, 2020, v. 25, n. 24, p. 5891, doi. 10.3390/molecules25245891
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- Article
New Hybrids of 4-Amino-2,3-polymethylene-quinoline and p-Tolylsulfonamide as Dual Inhibitors of Acetyl- and Butyrylcholinesterase and Potential Multifunctional Agents for Alzheimer's Disease Treatment.
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- Molecules, 2020, v. 25, n. 17, p. 3915, doi. 10.3390/molecules25173915
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- Article
Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies.
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- Molecules, 2020, v. 25, n. 14, p. 3171, doi. 10.3390/molecules25143171
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- Article
Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 2, p. 1006, doi. 10.3390/ijms25021006
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- Article
5-Nitroisoxazoles in S N Ar Reactions: A Novel Chemo- and Regioselective Approach to Isoxazole-Based Bivalent Ligands of AMPA Receptors.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 22, p. 16135, doi. 10.3390/ijms242216135
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- Article
Conjugates of Tacrine and Salicylic Acid Derivatives as New Promising Multitarget Agents for Alzheimer's Disease.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2285, doi. 10.3390/ijms24032285
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- Article
Novel substituted 5‐methyl‐4‐acylaminoisoxazoles as antimitotic agents: Evaluation of selectivity to LNCaP cancer cells.
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- Archiv der Pharmazie, 2022, v. 355, n. 5, p. 1, doi. 10.1002/ardp.202100425
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- Article
Virtual computational chemistry laboratory – design and description.
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- Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 6, p. 453, doi. 10.1007/s10822-005-8694-y
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- Article
Derivatives of 9-phosphorylated acridine as butyrylcholinesterase inhibitors with antioxidant activity and the ability to inhibit β-amyloid self-aggregation: potential therapeutic agents for Alzheimer's disease.
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- Frontiers in Pharmacology, 2023, p. 01, doi. 10.3389/fphar.2023.1219980
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- Article
Diversity of AMPA Receptor Ligands: Chemotypes, Binding Modes, Mechanisms of Action, and Therapeutic Effects.
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- Biomolecules (2218-273X), 2023, v. 13, n. 1, p. 56, doi. 10.3390/biom13010056
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- Article
New Multifunctional Agents for Potential Alzheimer's Disease Treatment Based on Tacrine Conjugates with 2-Arylhydrazinylidene-1,3-Diketones.
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- Biomolecules (2218-273X), 2022, v. 12, n. 11, p. 1551, doi. 10.3390/biom12111551
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- Article
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.
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- Molecules, 2024, v. 29, n. 3, p. 696, doi. 10.3390/molecules29030696
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- Article
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease.
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- Molecules, 2024, v. 29, n. 2, p. 321, doi. 10.3390/molecules29020321
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- Article