Search Results - "da Cunha, Elaine F. F."

Hybrid Materials Based on Magnetic Iron Oxides with Benzothiazole Derivatives: A Plausible Potential Spectroscopy Probe by Corrêa, Silviana, Rosa, Isael Aparecido, Andolpho, Gustavo A, Assis, Letícia Cristina de, Pires, Maíra Dos S, Lacerda, Lívia C T, Nogueira, Francisco G E, Cunha, Elaine F F da, Nepovimova, Eugenie, Kuca, Kamil, Ramalho, Teodorico C

“…Rare diseases affect a small part of the population, and the most affected are children. Because of the low availability of patients for testing, the…”
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A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesterase by Kuca, Kamil, Musilek, Kamil, Jun, Daniel, Zdarova-Karasova, Jana, Nepovimova, Eugenie, Soukup, Ondrej, Hrabinova, Martina, Mikler, John, Franca, Tanos C C, Da Cunha, Elaine F F, De Castro, Alexandre A, Valis, Martin, Ramalho, Teodorico C

“…Based on in vitro and in vivo rat experiments, the newly developed acetylcholinesterase (AChE) reactivator, K203, appears to be much more effective in the…”
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Recent Developments in Metal-Based Drugs and Chelating Agents for Neurodegenerative Diseases Treatments by Sales, Thais A, Prandi, Ingrid G, Castro, Alexandre A de, Leal, Daniel H S, Cunha, Elaine F F da, Kuca, Kamil, Ramalho, Teodorico C

“…The brain has a unique biological complexity and is responsible for important functions in the human body, such as the command of cognitive and motor…”
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Silver(I) and Copper(II) 1,10-phenanthroline-5,6-dione complexes as promising antivirulence strategy against 'Leishmania': Focus on Gp63 (Leishmanolysin) by Oliveira, Simone S C, Correia, Claudyane A, Santos, Vanessa S, da Cunha, Elaine F F, de Castro, Alexandre A, Ramalho, Teodorico C, Devereux, Michael, McCann, Malachy, Branquinha, Marta H, Santos, André L S

“…Leishmaniasis, caused by protozoa of the genus 'Leishmania', encompasses a group of neglected diseases with diverse clinical and epidemiological manifestations…”
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The Role of Intramolecular Interactions on the Bioactive Conformation of Epinephrine by Silva, Daniela R., Silla, Josué M., Santos, Lucas A., da Cunha, Elaine F. F., Freitas, Matheus P.

“…The structure of bioactive compounds inside their biological target is mainly dictated by the intermolecular interactions present in the binding side, whereas…”
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Hydrophobic Noncovalent Interactions of Inosine-Phenylalanine: A Theoretical Model for Investigating the Molecular Recognition of Nucleobases by Santos, Lucas A, da Cunha, Elaine F. F, Freitas, Matheus P, Ramalho, Teodorico C

“…Understanding the molecular recognition process of nucleobases is one of the greatest challenges for both computational chemistry and biophysics fields. In…”
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Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication by Soares, Flávia V, de Castro, Alexandre A, Pereira, Ander F, Leal, Daniel H S, Mancini, Daiana T, Krejcar, Ondrej, Ramalho, Teodorico C, da Cunha, Elaine F F, Kuca, Kamil

“…Organophosphorus compounds (OP) are part of a group of compounds that may be hazardous to health. They are called neurotoxic agents because of their action on…”
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Understanding the Interaction Modes and Reactivity of Trimedoxime toward MmAChE Inhibited by Nerve Agents: Theoretical and Experimental Aspects by de Castro, Alexandre, Polisel, Daniel, Pereira, Bruna, da Cunha, Elaine, Kuca, Kamil, Nepovimova, Eugenie, Ramalho, Teodorico

“…Organophosphorus (OP) compounds are used as both chemical weapons and pesticides. However, these agents are very dangerous and toxic to humans, animals, and…”
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Improved Protocol for the Selection of Structures from Molecular Dynamics of Organic Systems in Solution: The Value of Investigating Different Wavelet Families by Gonçalves, Mateus A., Gonçalves, Arlan S., Franca, Tanos C. C., Santana, Mozarte S., da Cunha, Elaine F. F., Ramalho, Teodorico C.

“…Wavelets are mathematical tools used to decompose and represent another function described in the time domain, allowing the study of each component of the…”
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Future Therapeutic Perspectives into the Alzheimer's Disease Targeting the Oxidative Stress Hypothesis by Teixeira, Jéssika P, de Castro, Alexandre A, Soares, Flávia V, da Cunha, Elaine F F, Ramalho, Teodorico C

“…Alzheimer's disease (AD) is a neurodegenerative disease that is usually accompanied by aging, increasingly being the most common cause of dementia in the…”
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Trends in the Recent Patent Literature on Cholinesterase Reactivators (2016-2019) by de Castro, Alexandre A, Assis, Letícia C, Soares, Flávia V, Kuca, Kamil, Polisel, Daniel A, da Cunha, Elaine F F, Ramalho, Teodorico C

“…Acetylcholinesterase (AChE) is the key enzyme responsible for deactivating the ACh neurotransmitter. Irreversible or prolonged inhibition of AChE, therefore,…”
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Insights into the value of statistical models, solvent, and relativistic effects for investigating Re complexes of 2-(4′-aminophenyl)benzothiazole: a potential spectroscopic probe by Andolpho, Gustavo A., da Cunha, Elaine F. F., Ramalho, Teodorico C.

“…Cancer affects a major part of the worldwide population, and, to minimize deaths, the diagnosis in the early stages of the disease is fundamental. Thus, to…”
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Computer-Assisted Improvement of Sulfonylureas with Antifungal Properties and Limited Herbicidal Activity: Potential Application in Forage Conservation by de Faria, Adriana C, Daré, Joyce K, da Cunha, Elaine F. F, Freitas, Matheus P

“…This work reports studies at the molecular level of a series of modified sulfonylureas to determine the chemophoric sites responsible for their antifungal and…”
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Exploring 129Xe NMR parameters for structural investigation of biomolecules: relativistic, solvent, and thermal effects by Gonçalves, Mateus A., Andolpho, Gustavo A., da Cunha, Elaine F. F., Ramalho, Teodorico C.

“…In recent years, the study of new probes has aroused great interest in the scientific community around the world. Therefore, in the present work, we present a…”
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Toward the Classical Description of Halogen Bonds: A Quantum Based Generalized Empirical Potential for Fluorine, Chlorine, and Bromine by Santos, Lucas A, da Cunha, Elaine F. F, Ramalho, Teodorico C

“…The electronic effects in supramolecular systems are a great challenge for computational chemistry, and the understanding of ligand-protein interactions driven…”
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Evaluation of autophagy inhibition to combat cancer: (vanadium complex)–protein interactions, parameterization, and validation of a new force field by Santos, Taináh M. R., Tavares, Camila A., Pereira, Ander F., da Cunha, Elaine F. F., Ramalho, Teodorico C.

“…Autophagy has drawn attention from the scientific community, mainly because of its significant advantages over chemotherapeutic processes. One of these…”
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Fluorinated benzoxazinones designed via MIA‐QSAR, docking and molecular dynamics as protoporphyrinogen IX oxidase inhibitors by Faria, Adriana C., Martins, Francisco A., Cunha, Elaine F. F., Freitas, Matheus P.

“…BACKGROUND Fluorine plays a significant role in agrochemical science because approximately 25% of herbicides licensed worldwide contain this element. In a pool…”
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Detection of Chemical Weapon Agents Using Spectroscopic Probes: A Computational Study by da Cunha, Elaine F. F., da Rocha, Eduardo P., Mancini, Daiana T., Silva, Érika Ferreira, Braga, Letícia S., Ramalho, Teodorico C.

“…Organophosphorus compounds are organic compounds widely employed in agriculture as well as in chemical weapons. The use in agriculture is due to their…”
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Towards the understanding of tetrahydroquinolines action in Aedes aegypti: larvicide or adulticide? by Giacoppo, Juliana de O. S., Carregal, Juliano B., Junior, Moacyr C., Cunha, Elaine F. F. da, Ramalho, Teodorico C.

“…Aedes aegypti is an important vector of arboviruses such as dengue, yellow fever, chikungunya and Zika. Among the various types of insecticides used to combat…”
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Multivariate image analysis applied to quantitative structure–activity relationships and docking studies of recent hydroxyphenylpyruvate deoxygenase inhibitors by Capucho, Luiz R., Pereira, Ingrid V., Faria, Adriana C., Daré, Joyce K., Cunha, Elaine F. F., Freitas, Matheus P.

“…Background Mesotrione is a triketone widely used as an inhibitor of the hydroxyphenylpyruvate deoxygenase (HPPD) enzyme. However, new agrochemicals should be…”
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