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MolPredictX: Online Biological Activity Predictions by Machine Learning Models.
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- Molecular Informatics, 2022, v. 41, n. 12, p. 1, doi. 10.1002/minf.202200133
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- Article
Predictive Computational Tools for Assessment of Ecotoxicological Activity of Organic Micropollutants in Various Water Sources in Brazil.
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- Molecular Informatics, 2019, v. 38, n. 8/9, p. 1, doi. 10.1002/minf.201800156
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- Article
Structure‐based design, optimization of lead, synthesis, and biological evaluation of compounds active against Trypanosoma cruzi.
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- Chemical Biology & Drug Design, 2023, v. 102, n. 4, p. 843, doi. 10.1111/cbdd.14294
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- Article
New thiophene–acridine compounds: Synthesis, antileishmanial activity, DNA binding, chemometric, and molecular docking studies.
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- Chemical Biology & Drug Design, 2018, v. 91, n. 6, p. 1141, doi. 10.1111/cbdd.13176
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- Article
Review on Compounds Isolated from Eriocaulaceae Family and Evaluation of Biological Activities by Machine Learning.
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- Molecules, 2022, v. 27, n. 21, p. 7186, doi. 10.3390/molecules27217186
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- Article
Machine Learning Analysis of Essential Oils from Cuban Plants: Potential Activity against Protozoa Parasites.
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- Molecules, 2022, v. 27, n. 4, p. 1366, doi. 10.3390/molecules27041366
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- Article
Identification of Kaurane-Type Diterpenes as Inhibitors of Leishmania Pteridine Reductase I.
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- Molecules, 2021, v. 26, n. 11, p. 3076, doi. 10.3390/molecules26113076
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- Article
In Silico Studies of Lamiaceae Diterpenes with Bioinsecticide Potential against Aphis gossypii and Drosophila melanogaster.
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- Molecules, 2021, v. 26, n. 3, p. 766, doi. 10.3390/molecules26030766
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- Article
Docking Prediction, Antifungal Activity, Anti-Biofilm Effects on Candida spp., and Toxicity against Human Cells of Cinnamaldehyde.
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- Molecules, 2020, v. 25, n. 24, p. 5969, doi. 10.3390/molecules25245969
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- Article
Virtual Screening and the In Vitro Assessment of the Antileishmanial Activity of Lignans.
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- Molecules, 2020, v. 25, n. 10, p. 2281, doi. 10.3390/molecules25102281
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- Article
Computer-Aided Chemotaxonomy and Bioprospecting Study of Diterpenes of the Lamiaceae Family.
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- Molecules, 2019, v. 24, n. 21, p. 3908, doi. 10.3390/molecules24213908
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- Article
SistematX, an Online Web-Based Cheminformatics Tool for Data Management of Secondary Metabolites.
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- Molecules, 2018, v. 23, n. 1, p. 103, doi. 10.3390/molecules23010103
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- Article
Computer-Aided Drug Design Using Sesquiterpene Lactones as Sources of New Structures with Potential Activity against Infectious Neglected Diseases.
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- Molecules, 2017, v. 22, n. 1, p. 79, doi. 10.3390/molecules22010079
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- Article
Synthesis, Antifungal Evaluation and In Silico Study of N-(4-Halobenzyl)amides.
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- Molecules, 2016, v. 21, n. 12, p. 1716, doi. 10.3390/molecules21121716
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- Article
Experimental Methodologies and Evaluations of Computer-Aided Drug Design Methodologies Applied to a Series of 2-Aminothiophene Derivatives with Antifungal Activities.
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- Molecules, 2012, v. 17, n. 3, p. 2298, doi. 10.3390/molecules17032298
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- Article
Chemometric Studies on Natural Products as Potential Inhibitors of the NADH Oxidase from Trypanosoma cruzi Using the VolSurf Approach.
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- Molecules, 2010, v. 15, n. 10, p. 7363, doi. 10.3390/molecules15107363
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- Article
Kaurane-Type Diterpenoids as Potential Inhibitors of Dihydrofolate Reductase-Thymidylate Synthase in New World Leishmania Species.
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- Antibiotics (2079-6382), 2023, v. 12, n. 4, p. 663, doi. 10.3390/antibiotics12040663
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- Article
Natural Products from Annonaceae as Potential Antichagasic Agents.
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- ChemMedChem, 2022, v. 17, n. 15, p. 1, doi. 10.1002/cmdc.202200196
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- Article
Discovery of Alternative Chemotherapy Options for Leishmaniasis through Computational Studies of Asteraceae.
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- ChemMedChem, 2021, v. 16, n. 8, p. 1234, doi. 10.1002/cmdc.202000862
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- Article
In Silico Studies Designed to Select Sesquiterpene Lactones with Potential Antichagasic Activity from an In‐House Asteraceae Database.
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- ChemMedChem, 2018, v. 13, n. 6, p. 634, doi. 10.1002/cmdc.201700743
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- Article
Anxiolytic Effect of Citrus aurantium L. in Crack Users.
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- Evidence-based Complementary & Alternative Medicine (eCAM), 2017, v. 2017, p. 1, doi. 10.1155/2017/7217619
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- Article
Theoretical Study of Phosphoethanolamine: A Synthetic Anticancer Agent with Broad Antitumor Activity.
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- Journal of Chemistry, 2016, p. 1, doi. 10.1155/2016/4068641
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- Article
Antinociceptive Activity of Chemical Components of Essential Oils That Involves Docking Studies: A Review.
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- Frontiers in Pharmacology, 2020, v. 11, p. 1, doi. 10.3389/fphar.2020.00777
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- Article
Schistosomiasis Control Using Piplartine against Biomphalaria glabrata at Different Developmental Stages.
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- PLoS Neglected Tropical Diseases, 2013, v. 7, n. 6, p. 1, doi. 10.1371/journal.pntd.0002251
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- Article
Schistosomiasis Control Using Piplartine against <i>Biomphalaria glabrata</i> at Different Developmental Stages.
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- PLoS Neglected Tropical Diseases, 2013, v. 7, n. 6, p. 1, doi. 10.1371/journal.pntd.0002251
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- Article
Repurposing the Medicines for Malaria Venture's COVID Box to discover potent inhibitors of Toxoplasma gondii, and in vivo efficacy evaluation of almitrine bismesylate (MMV1804175) in chronically infected mice.
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- PLoS ONE, 2023, v. 18, n. 7, p. 1, doi. 10.1371/journal.pone.0288335
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- Article
Antifungal activity of 2‐chloro‐N‐phenylacetamide, docking and molecular dynamics studies against clinical isolates of Candida tropicalis and Candida parapsilosis.
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- Journal of Applied Microbiology, 2022, v. 132, n. 5, p. 3601, doi. 10.1111/jam.15498
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- Article
Selection of antileishmanial sesquiterpene lactones from SistematX database using a combined ligand-/structure-based virtual screening approach.
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- Molecular Diversity, 2021, v. 25, n. 4, p. 2411, doi. 10.1007/s11030-020-10139-6
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- Article
Machine learning models to select potential inhibitors of acetylcholinesterase activity from SistematX: a natural products database.
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- Molecular Diversity, 2021, v. 25, n. 3, p. 1553, doi. 10.1007/s11030-021-10245-z
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- Article
In Silico and In Vitro Evaluation of the Antifungal Activity of a New Chromone Derivative against Candida spp.
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- BioTech, 2024, v. 13, n. 2, p. 16, doi. 10.3390/biotech13020016
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- Article
Bioactive Essential Oils from Cuban Plants: An Inspiration to Drug Development.
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- Plants (2223-7747), 2021, v. 10, n. 11, p. 2515, doi. 10.3390/plants10112515
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- Article
2-Allylphenol Reduces IL-1β and TNF-α, Promoting Antinociception through Adenosinergic, Anti-Inflammatory, and Antioxidant Mechanisms.
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- Oxidative Medicine & Cellular Longevity, 2019, p. 1, doi. 10.1155/2019/1346878
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- Article
Active Essential Oils and Their Components in Use against Neglected Diseases and Arboviruses.
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- Oxidative Medicine & Cellular Longevity, 2019, p. 1, doi. 10.1155/2019/6587150
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- Article
Computational Studies Applied to Flavonoids against Alzheimer's and Parkinson's Diseases.
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- Oxidative Medicine & Cellular Longevity, 2018, v. 2018, p. 1, doi. 10.1155/2018/7912765
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- Article
Antimicrobial Potential of Betulinic Acid and Investigation of the Mechanism of Action against Nuclear and Metabolic Enzymes with Molecular Modeling.
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- Pathogens, 2023, v. 12, n. 3, p. 449, doi. 10.3390/pathogens12030449
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- Article
Selene-Ethylenelacticamides and N -Aryl-Propanamides as Broad-Spectrum Leishmanicidal Agents.
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- Pathogens, 2023, v. 12, n. 1, p. 136, doi. 10.3390/pathogens12010136
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- Article
Machine-Learning- and Structure-Based Virtual Screening for Selecting Cinnamic Acid Derivatives as Leishmania major DHFR-TS Inhibitors.
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- Molecules, 2024, v. 29, n. 1, p. 179, doi. 10.3390/molecules29010179
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- Article
Virtual Screening of Different Subclasses of Lignans with Anticancer Potential and Based on Genetic Profile.
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- Molecules, 2023, v. 28, n. 16, p. 6011, doi. 10.3390/molecules28166011
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- Article
Anticancer Activity of Chalcones and Its Derivatives: Review and In Silico Studies.
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- Molecules, 2023, v. 28, n. 10, p. 4009, doi. 10.3390/molecules28104009
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- Article
Discovery and Development of a Novel mPGES-1/5-LOX Dual Inhibitor LFA-9 for Prevention and Treatment of Chronic Inflammatory Diseases.
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- Journal of Inflammation Research, 2020, v. 13, p. 1261, doi. 10.2147/JIR.S286110
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- Article
Orofacial antinociceptive activity and anchorage molecular mechanism in silico of geraniol.
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- Brazilian Oral Research, 2020, v. 34, p. 1, doi. 10.1590/1807-3107bor-2020.vol34.0094
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- Article
Pharmacological Potential of Pyrmidine Derivatives: A Review With Emphasis on Antiviral Effects and Virtual Screening Against Sars‐Cov‐2 Molecular Targets.
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- ChemistrySelect, 2023, v. 8, n. 23, p. 1, doi. 10.1002/slct.202300132
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- Article
Elucidating the molecular mechanisms of essential oils' insecticidal action using a novel cheminformatics protocol.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-29981-3
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- Article
INSIGHTS INTO THE ACTIONS OF ANGIOTENSIN-1 RECEPTOR (AT1R) INVERSE AGONISTS: PERSPECTIVES AND IMPLICATIONS IN COVID-19 TREATMENT.
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- EXCLI Journal, 2020, p. 252, doi. 10.17179/excli2021-3412
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- Article
Psychopharmacological effects of riparin III from Aniba riparia (Nees) Mez. (Lauraceae) supported by metabolic approach and multivariate data analysis.
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- BMC Complementary Medicine & Therapies, 2020, v. 20, n. 1, p. 1, doi. 10.1186/s12906-020-02938-z
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- Article
Mass Spectrometry-Based Investigation of Sugarcane Exposed to Five Different Pesticides.
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- Life (2075-1729), 2023, v. 13, n. 4, p. 1034, doi. 10.3390/life13041034
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- Article
Progress in Polymeric Nano-Medicines for Theranostic Cancer Treatment.
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- Polymers (20734360), 2020, v. 12, n. 3, p. 598, doi. 10.3390/polym12030598
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- Article
Natural Bioactive Products with Antioxidant Properties Useful in Neurodegenerative Diseases 2020.
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- Oxidative Medicine & Cellular Longevity, 2021, p. 1, doi. 10.1155/2021/6262316
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- Article
Identification of New Targets and the Virtual Screening of Lignans against Alzheimer's Disease.
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- Oxidative Medicine & Cellular Longevity, 2020, p. 1, doi. 10.1155/2020/3098673
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- Article
Modulation of Drug Resistance in Staphylococcus aureus with Coumarin Derivatives.
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- Scientifica, 2016, p. 1, doi. 10.1155/2016/6894758
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- Article