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Synergic Interplay Between Halogen Bonding and Hydrogen Bonding in the Activation of a Neutral Substrate in a Nanoconfined Space.
- Published in:
- Angewandte Chemie, 2020, v. 132, n. 2, p. 821, doi. 10.1002/ange.201909865
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- Publication type:
- Article
Mild Friedel–Crafts Reactions inside a Hexameric Resorcinarene Capsule: C−Cl Bond Activation through Hydrogen Bonding to Bridging Water Molecules.
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- Angewandte Chemie, 2018, v. 130, n. 19, p. 5521, doi. 10.1002/ange.201801642
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- Article
Carbamoyl-Decorated Cyclodextrins for Carbon Dioxide Adsorption.
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- Catalysts (2073-4344), 2023, v. 13, n. 1, p. 41, doi. 10.3390/catal13010041
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- Article
DNA Recognition with Polycyclic-Aromatic-Hydrocarbon-Presenting Calixarene Conjugates.
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- European Journal of Organic Chemistry, 2014, v. 2014, n. 34, p. 7605, doi. 10.1002/ejoc.201403050
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- Article
Design, Synthesis, Molecular Docking and Crystal Structure Prediction of New Azasugar Analogues of α-Glucosidase Inhibitors.
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- European Journal of Organic Chemistry, 2011, v. 2011, n. 36, p. 7278, doi. 10.1002/ejoc.201100832
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- Article
From Amino Acids to Enantiopure Bicyclic Isoxazolidinylpyridin-4(1H)-ones through Intramolecular Nitrone Cycloadditions.
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- European Journal of Organic Chemistry, 2005, v. 2005, n. 11, p. 2368, doi. 10.1002/ejoc.200400847
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- Article
Design, synthesis, in vitro evaluation, and molecular modeling studies of N‐substituted benzomorphans, analogs of LP2, as novel MOR ligands.
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- Chemical Biology & Drug Design, 2023, v. 101, n. 6, p. 1382, doi. 10.1111/cbdd.14220
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- Article
Discovery of benzimidazole‐based Leishmania mexicana cysteine protease CPB2.8ΔCTE inhibitors as potential therapeutics for leishmaniasis.
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- Chemical Biology & Drug Design, 2018, v. 92, n. 3, p. 1585, doi. 10.1111/cbdd.13326
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- Article
Ensemble‐based ADME–Tox profiling and virtual screening for the discovery of new inhibitors of the <italic>Leishmania mexicana</italic> cysteine protease CPB2.8ΔCTE.
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- Chemical Biology & Drug Design, 2018, v. 91, n. 2, p. 597, doi. 10.1111/cbdd.13124
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- Article
Molecular modeling studies of pseudouridine isoxazolidinyl nucleoside analogues as potential inhibitors of the pseudouridine 5ʹ‐monophosphate glycosidase.
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- Chemical Biology & Drug Design, 2018, v. 91, n. 2, p. 519, doi. 10.1111/cbdd.13113
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- Article
The Search for Potent, Small-Molecule HDACIs in Cancer Treatment: A Decade After Vorinostat.
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- Medicinal Research Reviews, 2017, v. 37, n. 6, p. 1373, doi. 10.1002/med.21437
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- Article
Novel Tyrosine Kinase Inhibitors to Target Chronic Myeloid Leukemia.
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- Molecules, 2022, v. 27, n. 10, p. 3220, doi. 10.3390/molecules27103220
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- Article
A Pseudouridine Isoxazolidinyl Nucleoside Analogue Structural Analysis: A Morphological Approach.
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- Molecules, 2018, v. 23, n. 12, p. 3381, doi. 10.3390/molecules23123381
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- Article
Discovery of High-Affinity Cannabinoid Receptors Ligands through a 3D-QSAR Ushered by Scaffold-Hopping Analysis.
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- Molecules, 2018, v. 23, n. 9, p. 2183, doi. 10.3390/molecules23092183
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- Article
Novel Structural Insight into Inhibitors of Heme Oxygenase-1 (HO-1) by New Imidazole-Based Compounds: Biochemical and In Vitro Anticancer Activity Evaluation.
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- Molecules, 2018, v. 23, n. 5, p. 1209, doi. 10.3390/molecules23051209
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- Article
Repurposing of FDA‐Approved Drugs for Treating Iatrogenic Botulism: A Paired 3D‐QSAR/Docking Approach<sup>†</sup>.
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- ChemMedChem, 2020, v. 15, n. 2, p. 256, doi. 10.1002/cmdc.201900594
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- Article
Identification of Potentially Potent Heme Oxygenase 1 Inhibitors through 3D‐QSAR Coupled to Scaffold‐Hopping Analysis.
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- ChemMedChem, 2018, v. 13, n. 13, p. 1336, doi. 10.1002/cmdc.201800176
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- Article
Heme Oxygenase Database (HemeOxDB) and QSAR Analysis of Isoform 1 Inhibitors.
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- ChemMedChem, 2017, v. 12, n. 22, p. 1873, doi. 10.1002/cmdc.201700321
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- Article
Progress of the "Molecular Informatics" Section in 2022.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 11, p. 9442, doi. 10.3390/ijms24119442
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- Article
Computer-Assisted Design of Peptide-Based Radiotracers.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 7, p. 6856, doi. 10.3390/ijms24076856
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- Article
1,2-Dibenzoylhydrazine as a Multi-Inhibitor Compound: A Morphological and Docking Study.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 2, p. 1425, doi. 10.3390/ijms24021425
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- Article
Novel Class of Proteasome Inhibitors: In Silico and In Vitro Evaluation of Diverse Chloro(trifluoromethyl)aziridines.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 20, p. 12363, doi. 10.3390/ijms232012363
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- Article
Targeting the SARS-CoV-2 HR1 with Small Molecules as Inhibitors of the Fusion Process.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 17, p. 10067, doi. 10.3390/ijms231710067
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- Article
Artificial Intelligence Technologies for COVID-19 De Novo Drug Design.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 6, p. 3261, doi. 10.3390/ijms23063261
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- Article
Green Efficient One-Pot Synthesis and Separation of Nitrones in Water Assisted by a Self-Assembled Nanoreactor.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 1, p. 236, doi. 10.3390/ijms23010236
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- Article
Pseudo-Dipeptide Bearing α,α -Difluoromethyl Ketone Moiety as Electrophilic Warhead with Activity against Coronaviruses.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 3, p. 1398, doi. 10.3390/ijms22031398
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- Article
An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 24, p. 9470, doi. 10.3390/ijms21249470
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- Article
A Rare Natural Benzo[k,l]xanthene as a Turn-Off Fluorescent Sensor for Cu2+ Ion.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 18, p. 6933, doi. 10.3390/ijms21186933
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- Article
New Anti SARS-Cov-2 Targets for Quinoline Derivatives Chloroquine and Hydroxychloroquine †.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 16, p. 5856, doi. 10.3390/ijms21165856
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- Article
New Arylethanolimidazole Derivatives as HO-1 Inhibitors with Cytotoxicity against MCF-7 Breast Cancer Cells.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 6, p. 1923, doi. 10.3390/ijms21061923
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- Article
Hydroxamic Acid-Based Histone Deacetylase (HDAC) Inhibitors Bearing a Pyrazole Scaffold and a Cinnamoyl Linker.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 4, p. 945, doi. 10.3390/ijms20040945
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- Article
Morphing of Ibogaine: A Successful Attempt into the Search for Sigma-2 Receptor Ligands.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 3, p. 488, doi. 10.3390/ijms20030488
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- Article
Selective noncovalent proteasome inhibiting activity of trifluoromethyl‐containing gem‐quaternary aziridines.
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- Archiv der Pharmazie, 2023, v. 356, n. 7, p. 1, doi. 10.1002/ardp.202300174
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- Article
Mild Friedel–Crafts Reactions inside a Hexameric Resorcinarene Capsule: C−Cl Bond Activation through Hydrogen Bonding to Bridging Water Molecules.
- Published in:
- Angewandte Chemie International Edition, 2018, v. 57, n. 19, p. 5423, doi. 10.1002/anie.201801642
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- Publication type:
- Article
CYP7B1 as a Biomarker for Prostate Cancer Risk and Progression: Metabolic and Oncogenic Signatures (Diagnostic Immunohistochemistry Analysis by Tissue Microarray in Prostate Cancer Patients—Diamond Study).
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- International Journal of Molecular Sciences, 2024, v. 25, n. 9, p. 4762, doi. 10.3390/ijms25094762
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- Article
S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands.
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- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0191-5
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- Article
Synergic Interplay Between Halogen Bonding and Hydrogen Bonding in the Activation of a Neutral Substrate in a Nanoconfined Space.
- Published in:
- Angewandte Chemie International Edition, 2020, v. 59, n. 2, p. 811, doi. 10.1002/anie.201909865
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- Publication type:
- Article
Metabolic Characterization of Supernatants Produced by Lactobacillus spp. With in vitro Anti- Legionella Activity.
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- Frontiers in Microbiology, 2019, p. N.PAG, doi. 10.3389/fmicb.2019.01403
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- Article
An Integrated In Silico and In Vitro Approach for the Identification of Natural Products Active against SARS-CoV-2.
- Published in:
- Biomolecules (2218-273X), 2024, v. 14, n. 1, p. 43, doi. 10.3390/biom14010043
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- Publication type:
- Article
Physicochemical Characterization and Antioxidant Activity Evaluation of Idebenone/Hydroxypropyl-β-Cyclodextrin Inclusion Complex †.
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- Biomolecules (2218-273X), 2019, v. 9, n. 10, p. 531, doi. 10.3390/biom9100531
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- Article
Repurposing of Human Kinase Inhibitors in Neglected Protozoan Diseases.
- Published in:
- ChemMedChem, 2017, v. 12, n. 16, p. 1235, doi. 10.1002/cmdc.201700259
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- Article
Cover Feature: Light‐Controlled Simultaneous “On Demand” Release of Cytotoxic Combinations for Bimodal Killing of Cancer Cells (Chem. Eur. J. 30/2018).
- Published in:
- Chemistry - A European Journal, 2018, v. 24, n. 30, p. 7533, doi. 10.1002/chem.201801943
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- Article
Light‐Controlled Simultaneous “On Demand” Release of Cytotoxic Combinations for Bimodal Killing of Cancer Cells.
- Published in:
- Chemistry - A European Journal, 2018, v. 24, n. 30, p. 7664, doi. 10.1002/chem.201800862
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- Article
Steered Molecular Dynamics Simulations Study on FABP4 Inhibitors.
- Published in:
- Molecules, 2023, v. 28, n. 6, p. 2731, doi. 10.3390/molecules28062731
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- Article
A top-down approach to crystal engineering of a racemic Δ<sup>2</sup>-isoxazoline.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2014, v. 70, n. 1, p. 172, doi. 10.1107/S2052520613030862
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- Article
TiO<sub>2</sub>/Loofah-Halloysite Bio-Hybrid Composites as Efficient Systems for VOCs Removal.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 22, p. 1, doi. 10.1002/chem.202304276
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- Article
γ‐Cyclodextrins as Supramolecular Reactors for the Three‐component Aza‐Darzens Reaction in Water.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 12, p. 1, doi. 10.1002/chem.202303984
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- Article
Total Bio-Based Material for Drug Delivery and Iron Chelation to Fight Cancer through Antimicrobial Activity.
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- Nanomaterials (2079-4991), 2023, v. 13, n. 14, p. 2036, doi. 10.3390/nano13142036
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- Article
Portable Nanocomposite System for Wound Healing in Space.
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- Nanomaterials (2079-4991), 2023, v. 13, n. 4, p. 741, doi. 10.3390/nano13040741
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- Article
Shedding Light on the Chemistry and the Properties of Münchnone Functionalized Graphene.
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- Nanomaterials (2079-4991), 2021, v. 11, n. 7, p. 1629, doi. 10.3390/nano11071629
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- Article