Publications by authors named "Efrain Polo-Cuadrado"

This study presents the synthesis and characterization of a series of 13 novel acetamides. These were subjected to Ellman's assay to determine the efficacy of the AChE and BChE inhibitors. Finally, we report their antioxidant activity as an alternative approach for the search for drugs to treat AD.

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Article Synopsis
  • A new compound, 3,3'-bipyrazolo [3,4-]pyridine, was created from a specific precursor using a chemical reaction known as the Vilsmeier-Haack reaction.
  • The compound's structure and properties were analyzed using various spectroscopic techniques, including FT-IR, HRMS, H NMR, and C NMR, which allowed for a detailed understanding of its characteristics.
  • The study also included theoretical calculations to analyze the compound's behavior, confirming important findings about its energy and preferred shapes through density functional theory methods.
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This article describes the synthesis, characterization (H NMR, C NMR, FT-IR, HRMS and XRD), UV-Vis absorption and fluorescence spectra, theoretical analysis, evaluation of nonlinear optical properties (NLO), thermal analysis and determination of the hemolytic capacity of the compound ()--(4-(3-(benzo[][1,3]dioxol-5-yl)acryloyl)phenyl)quinoline-3-carboxamide (5). Radiological findings showed that compound 5 crystallized in space group 2. Furthermore, theoretical DFT studies performed with the B3LYP and M062X functionals showed good agreement with the experimental results and provided valuable information on the molecular and electronic structure, reactivity, polarizability, and kinematic stability of the compound.

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The increase in and concern about neurodegenerative diseases continue to grow in an increasingly long-lived world population. Therefore, the search for new drugs continues to be a priority for medicinal chemistry. We present here the synthesis of a series of compounds with acetamide nuclei.

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In this study, two pyrazolo[3,4-]pyridine derivatives (4a and 4b) were grown using a slow evaporation solution growth technique and characterized by FT-IR, HRMS, H/C NMR spectroscopy, and X-ray crystallography. The 4a and 4b structures crystallized in monoclinic and triclinic systems with space groups 2/ and 1̄, respectively. Theoretical calculations were performed at the DFT/B3LYP level for the optimized geometries.

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A single crystal of a piperonal chalcone derivative was obtained, fully characterized, and crystallized by a slow evaporation technique. The synthesized compound was characterized by UV-Visible, FT-IR, HRMS, H NMR, and C NMR spectroscopic studies and X-ray crystallography, revealing that the crystal belongs to a triclinic crystal system with a 1̄ space group, = 2. In the present work, we focus on molecular modeling studies such as Hirshfeld surface analysis, energy framework calculations, frontier molecular orbital analysis, natural bond orbital analysis, and NLO properties of a π-conjugate system combining the chalcone and the pyrazole[3,4-]pyridine scaffolds to describe the in-depth structural analysis thereof.

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Article Synopsis
  • Pyrazole-fused phenanthroline compounds were synthesized and characterized using various techniques like NMR and X-ray diffraction.
  • Compounds were tested as inhibitors for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), with compound 5c showing the best activity against AChE and compound 5l against BChE.
  • Additionally, several compounds demonstrated effective cationic radical scavenging abilities, particularly compounds 5e, 5f, and 5g, while 71% of the compounds exhibited good oral bioavailability based on Lipinski's rules.
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In recent years, spiro compounds have attracted significant interest in medicinal chemistry due to their numerous biological activities attributed primarily to their versatility and structural similarity to important pharmacophore centers. Currently, the development of drugs with potential antioxidant activities is of great importance since numerous investigations have shown that oxidative stress is involved in the development and progression of numerous diseases such as cancer, senile cataracts, kidney failure, diabetes, high blood pressure, cirrhosis, and neurodegenerative diseases, among others. This article provides an overview of the synthesis and various antioxidant activities found in naturally occurring and synthetic spiro compounds.

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Pesticides are used worldwide to increase crop yields in agriculture. However, their toxicity and accumulation capacity can make them toxic to the environment, animals and humans. In the case of workers chronically exposed to these substances, they must be sampled continuously, so urine is an excellent option.

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Bacterial infections are nowadays among the major threats to public health worldwide. Thus, there is an urgent and increased need for new antimicrobial agents. As a result, the exploration of the antimicrobial properties of different substances including ionic liquids (ILs) has recently attracted great attention.

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Oil spillage contamination has been one of the most common and challenging problems in marine ecosystems over the years due to frequent petroleum exploitation, washing, and transportation activities. The use of nature-derived surfactants has become an attractive approach to restore the sites affected by oil spillage. Several studies have demonstrated that nutrient addition is an efficient strategy to enhance oil biodegradation since microorganisms can use petroleum hydrocarbons as their carbon and energy source, thus favoring and increasing the hydrocarbons degradation rate.

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