about
21-Benzylidene digoxin: a proapoptotic cardenolide of cancer cells that up-regulates Na,K-ATPase and epithelial tight junctionsA critical view on antimalarial endoperoxide QSAR studies.Successful application of virtual screening and molecular dynamics simulations against antimalarial molecular targets.γ-Benzylidene digoxin derivatives synthesis and molecular modeling: Evaluation of anticancer and the Na,K-ATPase activity effect.Docking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target database.Cytotoxic effects of the cardenolide convallatoxin and its Na,K-ATPase regulation.Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.Antimalarial activity of 4-metoxychalcones: docking studies as falcipain/plasmepsin inhibitors, ADMET and lipophilic efficiency analysis to identify a putative oral lead candidate.Structure-based drug design studies of UDP-N-acetylglucosamine pyrophosphosrylase, a key enzyme for the control of witches' broom disease.Production, purification and characterization of a thermostable β-1,3-glucanase produced by Moniliophthora perniciosa.Dengue outbreaks in Divinopolis, south-eastern Brazil and the geographic and climatic distribution of Aedes albopictus and Aedes aegypti in 2011-2012.Epitopes rationally selected through computational analyses induce T-cell proliferation in mice and are recognized by serum from individuals infected with Schistosoma mansoni.Structure-based drug design studies of the interactions of ent-kaurane diterpenes derived from Wedelia paludosa with the Plasmodium falciparum sarco/endoplasmic reticulum Ca²⁺-ATPase PfATP6.Comparative modeling of DNA and RNA polymerases from Moniliophthora perniciosa mitochondrial plasmid.Identification of a vaccine against schistosomiasis using bioinformatics and molecular modeling tools.Identification and characterization of a class III chitin synthase gene of Moniliophthora perniciosa, the fungus that causes witches' broom disease of cacao.Larvicidal activity of essential oil of Peumus boldus Molina and its ascaridole-enriched fraction against Culex quinquefasciatus.Evidence for the involvement of spinal cord-inhibitory and cytokines-modulatory mechanisms in the anti-hyperalgesic effect of hecogenin acetate, a steroidal sapogenin-acetylated, in mice.Pharmacophoric characteristics of dengue virus NS2B/NS3pro inhibitors: a systematic review of the most promising compounds.QM/QM studies for Michael reaction in coronavirus main protease (3CL Pro).DFT study of the reductive decomposition of artemisinin.Synthesis, SAR, and Docking Studies Disclose 2-Arylfuran-1,4-naphthoquinones as In Vitro Antiplasmodial Hits.Rational selection of immunodominant and preserved epitope Sm043300e from Schistosoma mansoni and design of a chimeric molecule for biotechnological purposes.Selectivity analyses of γ-benzylidene digoxin derivatives to different Na,K-ATPase α isoforms: a molecular docking approach.Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT).Cytotoxic and cytostatic effects of digitoxigenin monodigitoxoside (DGX) in human lung cancer cells and its link to Na,K-ATPase.Detection of the antiviral activity of epicatechin isolated from Salacia crassifolia (Celastraceae) against Mayaro virus based on protein C homology modelling and virtual screening.The Use of Reverse Vaccinology and Molecular Modeling Associated with Cell Proliferation Stimulation Approach to Select Promiscuous Epitopes from Schistosoma mansoni.Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies.In silico studies of the interaction between BRN2 protein and MORE DNA.Homology modelling of pyrophosphosrylase, enzyme involved in chitin pathway of Moniliophthora perniciosa.Methyl Chavicol and Its Synthetic Analogue as Possible Antioxidant and Antilipase Agents Based on the In Vitro and In Silico Assays.Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experimentsCytotoxicity of AMANTADIG - a semisynthetic digitoxigenin derivative - alone and in combination with docetaxel in human hormone-refractory prostate cancer cells and its effect on Na+/K+-ATPase inhibitionIdentification of novel antiplasmodial compound by hierarquical virtual screening and in vitro assays
P50
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P50
description
hulumtues
@sq
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հետազոտող
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
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Alex Gutterres Taranto
@sl
P1053
F-8618-2012
P106
P1153
7801337219
P21
P31
P3829
P496
0000-0002-6086-1043