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1.
ACS Appl Bio Mater ; 2024 May 09.
Artículo en Inglés | MEDLINE | ID: mdl-38722351

RESUMEN

Nanofluids hold significant promise in diverse applications, particularly in biomedicine, where noble trimetallic nanofluids outperformed their monometallic counterparts. The composition, morphology, and size of these nanofluids play pivotal roles in their functionality. Controlled synthesis methods have garnered attention, focusing on precise morphology, content, biocompatibility, and versatile chemistry. Understanding how reaction parameters such as time, reducing agents, stabilizers, precursor concentration, temperature, and pH affect size and shape during synthesis is crucial. Trimetallic nanofluids, with their ideal composition, size, surface structure, and synergistic properties, are gaining traction in antimicrobial applications. These nanofluids were tested against seven microorganisms, demonstrating a heightened antimicrobial efficacy. Computational analyses, including molecular docking, dynamics, density functional theory (DFT), molecular electrostatic potential (MESP) analysis, and absorption, distribution, metabolism, elimination, and toxicology studies (ADMET) provided insights into binding interactions, energy, reactivity, and safety profiles, affirming the antimicrobial potential of trimetallic nanofluids. These findings emphasize the importance of controlled synthesis and computational validation in harnessing the unique properties of trimetallic nanofluids for biomedical applications.

2.
ACS Omega ; 7(45): 41058-41068, 2022 Nov 15.
Artículo en Inglés | MEDLINE | ID: mdl-36406579

RESUMEN

In the chemical industry, designing high-performance catalysts for the oxidation of cyclohexane into value-added products such as cyclohexanol and cyclohexanone (the combination is known as KA oil) is critical. The catalytic activity of copper nanoparticles supported on layered double hydroxide (LDH) for the liquid phase oxidation of cyclohexane was examined in this study. In this work, we have developed Cu nanoparticles supported on layered double hydroxide nanocatalysts, abbreviated as CuNPs@LDH, by the chemical reduction approach. Various physical methods were used to characterize the resulting material, including ICP-AES, XRD, FTIR, SEM, EDX, HRTEM, and BET surface area. The catalytic activity of copper nanoparticles supported on LDH was examined for the liquid phase oxidation of cyclohexane with tert-butyl hydroperoxide. CuNPs@LDH nanocatalysts with an excellent 52.3% conversion of cyclohexane with 97.2% selectivity of KA oil was obtained after 6 h at 353 K. The hot filtration test further indicated that CuNPs@LDH was a heterogeneous catalyst that could be recycled at least six times without suffering a substantial reduction in its catalytic activity.

3.
Future Med Chem ; 13(11): 975-991, 2021 06.
Artículo en Inglés | MEDLINE | ID: mdl-33896215

RESUMEN

Background: Considering emerging drug resistance in microbes, this work is focused on the synthesis of azole hybrids as novel antimicrobials. Materials & methods: The triazole derivatives were prepared using azide alkyne cycloaddition reaction. The antimicrobial potential of these compounds was evaluated by serial dilution method. Results: A series of azole hybrids containing benzimidazole-1,2,3-triazole skeleton was designed and synthesized via click reaction. Compound 4s showed notable antimicrobial activity against Staphylococcus aureus and Candida albicans (MIC 0.0165 µmol/ml), and 4q gives remarkable radical scavenging activity (IC50 0.0092 µmol/ml). The compounds 4a, 4k, 4o, 4s, 4x. 4m, 4n, 4s, 4t and 4x are commendable antibacterial and antifungal molecules, even better than established drugs. Molecular docking reveals that compound 4s binds with tyrosyl-tRNA synthetase residues through two H-bonds. Conclusion: Compounds 4s and 4k may be considered valuable lead compounds for further optimization as antimicrobial drugs.


Asunto(s)
Antibacterianos/farmacología , Antifúngicos/farmacología , Antioxidantes/farmacología , Azoles/farmacología , Candida albicans/efectos de los fármacos , Desarrollo de Medicamentos , Staphylococcus aureus/efectos de los fármacos , Antibacterianos/síntesis química , Antibacterianos/química , Antifúngicos/síntesis química , Antifúngicos/química , Antioxidantes/síntesis química , Antioxidantes/química , Azoles/síntesis química , Azoles/química , Compuestos de Bifenilo/antagonistas & inhibidores , Pruebas de Sensibilidad Microbiana , Simulación del Acoplamiento Molecular , Estructura Molecular , Picratos/antagonistas & inhibidores
4.
Arch Pharm (Weinheim) ; 353(9): e2000090, 2020 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-32567729

RESUMEN

Some novel benzimidazole-tethered 1,2,3-triazole derivatives (4a-r) were synthesized by a click reaction between 2-substituted 1-(prop-2-yn-1-yl)-1H-benzo[d]imidazole and in situ azide. The structures of the synthesized compounds were confirmed by spectroscopic studies (one- and two-dimensional nuclear magnetic resonance, Fourier transform infrared, and high-resolution mass spectra). The synthesized compounds were evaluated for their antidiabetic activity. Compounds 4a-r exhibited a good-to-moderate α-amylase and α-glucosidase inhibitory activity, with IC50 values ranging from 0.0410 to 0.0916 µmol/ml and 0.0146 to 0.0732 µmol/ml, respectively. Compounds 4e, 4g, and 4n were found to be most active. Furthermore, the binding conformation of the most active compounds was ascertained by docking studies.


Asunto(s)
Bencimidazoles/farmacología , Hipoglucemiantes/farmacología , Triazoles/farmacología , Bencimidazoles/síntesis química , Bencimidazoles/química , Hipoglucemiantes/síntesis química , Hipoglucemiantes/química , Concentración 50 Inhibidora , Espectroscopía de Resonancia Magnética , Simulación del Acoplamiento Molecular , Espectroscopía Infrarroja por Transformada de Fourier , Relación Estructura-Actividad , Triazoles/síntesis química , Triazoles/química
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