Search Results - "Villar, José Daniel Figueroa"
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Review about Structure and Evaluation of Reactivators of Acetylcholinesterase Inhibited with Neurotoxic Organophosphorus Compounds
Published in Current medicinal chemistry (01-01-2021)“…Neurotoxic chemical warfare agents can be classified as some of the most dangerous chemicals for humanity. The most effective of those agents are the…”
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2
Searching for drug leads targeted to the hydrophobic cleft of dengue virus capsid protein
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2022)“…We synthesised and screened 18 aromatic derivatives of guanylhydrazones and oximes aromatic for their capacity to bind to dengue virus capsid protein (DENVC)…”
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A new guanylhydrazone derivative as a potential acetylcholinesterase inhibitor for Alzheimer's disease: synthesis, molecular docking, biological evaluation and kinetic studies by nuclear magnetic resonance
Published in RSC advances (2017)“…The development of pharmacological agents for the treatment of Alzheimer's Disease (AD) is very relevant since this is the most common type of dementia. The…”
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Design, synthesis, structure, toxicology and in vitro testing of three novel agents for Alzheimer’s disease
Published in RSC advances (01-01-2017)“…This article describes the synthesis of three novel compounds for the treatment of Alzheimer’s disease (AD). The compounds were formed by the reaction of…”
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Complete chemical shift assignment and molecular modeling studies of two chromene derivatives as potential leads for new anticancer drugs
Published in Journal of biomolecular structure & dynamics (02-09-2021)“…The compounds 7-chloro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one (5) and 5-[-7-chloro-2,4-dioxo-1H,…”
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Synthesis and docking studies of three new diaminochromenes as potential leads for anticancer drugs
Published in Journal of biomolecular structure & dynamics (22-09-2021)“…In this work, the new diaminochromenes: 2,5-dimono-8-methoxychromeno[4,3,2-de][1,6]naphthyridine-4-carbonitrile (4),…”
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Design, synthesis, and evaluation of guanylhydrazones as potential inhibitors or reactivators of acetylcholinesterase
Published in Journal of enzyme inhibition and medicinal chemistry (01-11-2016)“…Analogs of pralidoxime, which is a commercial antidote for intoxication from neurotoxic organophosphorus compounds, were designed, synthesized, characterized,…”
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NMR determination of Electrophorus electricus acetylcholinesterase inhibition and reactivation by neutral oximes
Published in Bioorganic & medicinal chemistry (15-09-2013)“…Neurotoxic organophosphorus compounds (OPs), which are used as pesticides and chemical warfare agents lead to more than 700,000 intoxications worldwide every…”
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Computational NMR Spectroscopy of Transition-Metal/Nitroimidazole Complexes: Theoretical Investigation of Potential Radiosensitizers
Published in Helvetica chimica acta (01-10-2005)“…The computed chemical shifts of transition‐metal complexes with dimetridazole (= 1,2‐dimethyl‐5‐nitro‐1H‐imidazole; 1), a prototypical nitro‐imidazole‐based…”
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10
The use of long range C-H coupling in the structure determination and 13C assignment of pyrones
Published in Eclética química (01-06-2018)Get full text
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Nuclear Magnetic Resonance (NMR), Infrared (IR) and Mass Spectrometry (MS) study of keto-enol tautomerism of isobenzofuran-1(3H)-one derivatives
Published in Journal of molecular structure (05-06-2016)“…The keto-enol tautomerism of 3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)isobenzofuran-1(3H-one (1),…”
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Kinetics and docking studies of two potential new inhibitors of the nucleoside hydrolase from Leishmania donovani
Published in European journal of medicinal chemistry (01-10-2012)“…In this study the recombinant enzyme nucleoside hydrolase of Leishmania donovani (rLdNH) was expressed in Escherichia coli in connection with maltose binding…”
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13
Certified Reference Material for Traceability in Environmental Analysis: PAHs in Toluene
Published in Journal of the Brazilian Chemical Society (01-02-2014)“…Certified reference material (CRM) plays a vital role for quality control assurance in environmental analysis, because the quality of data arising from…”
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14
Spin-lattice relaxation time in drug discovery and design
Published in Current topics in medicinal chemistry (01-06-2009)“…NMR is one of the most powerful techniques for ligand-biomolecule interaction studies and drug screening and design. There are several methods that are…”
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Identification of citrinin as the defence metabolite of Penicillium corylophilum stressed with the antagonist fungus Beauveria bassiana
Published in Natural product research (01-01-2012)“…Penicillium corylophilum isolated from mosquitoes was cultivated in liquid media leading to the first reported identification of citrinin (1a) as one metabolic…”
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NMR interaction studies of aromatic guanyl hydrazones with micelles: Model for mechanism of action of cationic antibiotics
Published in BIOPOLYM (2001)“…Interaction studies using hydrogen NMR spin–lattice relaxation time measurements of a series of five antiparasitic guanyl hydrazones with SDS and cetyl…”
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Defesa química: histórico, classificação dos agentes de guerra e ação dos neurotóxicos
Published in Química Nova (2012)“…Chemical agents are substances used for their toxic effects on humans, animals and plants. The main objective of chemical defense is to develop systems that…”
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Design, docking studies and molecular dynamics of new potential selective inhibitors of Plasmodium falciparum serine hydroxymethyltransferase
Published in Molecular simulation (01-01-2010)“…In this paper, former studies on the interactions of the natural substrate and potential inhibitors of Plasmodium falciparum serine hydroxymethyltransferase…”
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SHESSLOC: A selective variation of the FUCOUP sequence
Published in Journal of magnetic resonance (1997) (01-07-2007)“…In this paper we carried out a comparison between all the possible selective versions of the basic heteronuclear correlation experiment, the FUCOUP sequence…”
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New semicarbazones as gorge-spanning ligands of acetylcholinesterase and potential new drugs against Alzheimer's disease: Synthesis, molecular modeling, NMR, and biological evaluation
Published in Journal of biomolecular structure & dynamics (18-11-2018)“…Two new compounds (E)-2-(5,7-dibromo-3,3-dimethyl-3,4-dihydroacridin-1(2H)-ylidene)hydrazinecarbothiomide (3) and…”
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