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A Virtual Screening Study for Lactate Dehydrogenase 5 Inhibitors by Using a Pharmacophore-based Approach.
- Published in:
- Molecular Informatics, 2016, v. 35, n. 8/9, p. 434, doi. 10.1002/minf.201501026
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- Article
The Extra-Virgin Olive Oil Polyphenols Oleocanthal and Oleacein Counteract Inflammation-Related Gene and miRNA Expression in Adipocytes by Attenuating NF-κB Activation.
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- Nutrients, 2019, v. 11, n. 12, p. 2855, doi. 10.3390/nu11122855
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- Article
Novel broad spectrum virucidal molecules against enveloped viruses.
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- PLoS ONE, 2018, v. 13, n. 12, p. 1, doi. 10.1371/journal.pone.0208333
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- Article
Rhodanine derivatives as potent anti-HIV and anti-HSV microbicides.
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- PLoS ONE, 2018, v. 13, n. 6, p. 1, doi. 10.1371/journal.pone.0198478
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- Article
Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases?
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- Molecules, 2022, v. 27, n. 22, p. 7816, doi. 10.3390/molecules27227816
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- Article
Sirtuin 1-Activating Compounds: Discovery of a Class of Thiazole-Based Derivatives.
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- Molecules, 2022, v. 27, n. 19, p. 6535, doi. 10.3390/molecules27196535
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- Article
Identification of Human Dihydroorotate Dehydrogenase Inhibitor by a Pharmacophore-Based Virtual Screening Study.
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- Molecules, 2022, v. 27, n. 12, p. 3660, doi. 10.3390/molecules27123660
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- Article
Co-Inhibition of P-gp and Hsp90 by an Isatin-Derived Compound Contributes to the Increase of the Chemosensitivity of MCF7/ADR-Resistant Cells to Doxorubicin.
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- Molecules, 2022, v. 27, n. 1, p. 90, doi. 10.3390/molecules27010090
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- Article
Recent Advances in In Silico Target Fishing.
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- Molecules, 2021, v. 26, n. 17, p. 5124, doi. 10.3390/molecules26175124
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- Article
Discovery of Monoacylglycerol Lipase (MAGL) Inhibitors Based on a Pharmacophore-Guided Virtual Screening Study.
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- Molecules, 2021, v. 26, n. 1, p. 78, doi. 10.3390/molecules26010078
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- Article
Application of MM-PBSA Methods in Virtual Screening.
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- Molecules, 2020, v. 25, n. 8, p. 1971, doi. 10.3390/molecules25081971
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- Article
Discovery of Novel µ-Opioid Receptor Inverse Agonist from a Combinatorial Library of Tetrapeptides through Structure-Based Virtual Screening.
- Published in:
- Molecules, 2019, v. 24, n. 21, p. 3872, doi. 10.3390/molecules24213872
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- Article
Synthesis and Biological Evaluation of New Glycoconjugated LDH Inhibitors as Anticancer Agents †.
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- Molecules, 2019, v. 24, n. 19, p. 3520, doi. 10.3390/molecules24193520
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- Article
Design, Synthesis, Docking Studies and Monoamine Oxidase Inhibition of a Small Library of 1-acetyl- and 1-thiocarbamoyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazoles.
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- Molecules, 2019, v. 24, n. 3, p. 484, doi. 10.3390/molecules24030484
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- Article
New Chromane-Based Derivatives as Inhibitors of Mycobacterium tuberculosis Salicylate Synthase (MbtI): Preliminary Biological Evaluation and Molecular Modeling Studies.
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- Molecules, 2018, v. 23, n. 7, p. 1506, doi. 10.3390/molecules23071506
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- Article
Three-Dimensional Analysis of the Interactions between hLDH5 and Its Inhibitors.
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- Molecules, 2017, v. 22, n. 12, p. 2217, doi. 10.3390/molecules22122217
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- Article
Largazole Analogues as Histone Deacetylase Inhibitors and Anticancer Agents: An Overview of Structure-Activity Relationships.
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- ChemMedChem, 2017, v. 12, n. 23, p. 1917, doi. 10.1002/cmdc.201700563
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- Article
Identification of Novel Non-Nucleoside Inhibitors of Zika Virus NS5 Protein Targeting MTase Activity.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 4, p. 2437, doi. 10.3390/ijms25042437
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- Article
Identification of New GSK3β Inhibitors through a Consensus Machine Learning-Based Virtual Screening.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 24, p. 17233, doi. 10.3390/ijms242417233
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- Article
New Insights into Bitopic Orthosteric/Allosteric Ligands of Cannabinoid Receptor Type 2.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2135, doi. 10.3390/ijms24032135
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- Article
Machine Learning-Based Virtual Screening for the Identification of Cdk5 Inhibitors.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 18, p. N.PAG, doi. 10.3390/ijms231810653
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- Article
VenomPred: A Machine Learning Based Platform for Molecular Toxicity Predictions.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 4, p. 2105, doi. 10.3390/ijms23042105
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- Article
Novel 8-Substituted Coumarins That Selectively Inhibit Human Carbonic Anhydrase IX and XII.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 5, p. 1208, doi. 10.3390/ijms20051208
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- Article
Extensive Reliability Evaluation of Docking-Based Target-Fishing Strategies.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 5, p. 1023, doi. 10.3390/ijms20051023
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- Article
Mealworm (Tenebrio molitor): Potential and Challenges to Promote Circular Economy.
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- Animals (2076-2615), 2021, v. 11, n. 9, p. 2568, doi. 10.3390/ani11092568
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- Article
Aldose Reductase Differential Inhibitors in Green Tea.
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- Biomolecules (2218-273X), 2020, v. 10, n. 7, p. 1003, doi. 10.3390/biom10071003
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- Article
Dissecting the Activity of Catechins as Incomplete Aldose Reductase Differential Inhibitors through Kinetic and Computational Approaches.
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- Biology (2079-7737), 2022, v. 11, n. 9, p. 1324, doi. 10.3390/biology11091324
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- Article
Three-Dimensional Interactions Analysis of the Anticancer Target c-Src Kinase with Its Inhibitors.
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- Cancers, 2020, v. 12, n. 8, p. 2327, doi. 10.3390/cancers12082327
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- Article
Virtual screening identifies a PIN1 inhibitor with possible antiovarian cancer effects.
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- Journal of Cellular Physiology, 2019, v. 234, n. 9, p. 15708, doi. 10.1002/jcp.28224
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- Article
An alternative conformation of the N‐terminal loop of human dihydroorotate dehydrogenase drives binding to a potent antiproliferative agent.
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- Acta Crystallographica: Section D, Structural Biology, 2024, v. 80, n. 6, p. 386, doi. 10.1107/S2059798324004066
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- Article
A Multitarget Approach against Neuroinflammation: Alkyl Substituted Coumarins as Inhibitors of Enzymes Involved in Neurodegeneration.
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- Antioxidants, 2023, v. 12, n. 12, p. 2044, doi. 10.3390/antiox12122044
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- Article
Novel Potent and Selective Agonists of the GPR55 Receptor Based on the 3-Benzylquinolin-2(1 H)-One Scaffold.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 7, p. N.PAG, doi. 10.3390/ph15070768
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- Article
New Synthetic Analogues of Natural Polyphenols as Sirtuin 1-Activating Compounds.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 3, p. 339, doi. 10.3390/ph15030339
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- Article
Anticancer Activity of Euplotin C, Isolated from the Marine Ciliate Euplotes crassus, Against Human Melanoma Cells.
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- Marine Drugs, 2018, v. 16, n. 5, p. 166, doi. 10.3390/md16050166
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- Article