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1.
Bioorg Chem ; 143: 107091, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38183683

RESUMEN

This scientific review documents the recent progress of C3-spirooxindoles chemistry (synthesis and reaction mechanism) and their bioactivities, focusing on the promising results as well as highlighting the biological mechanism via the reported molecular docking findings of the most bioactive derivatives. C3-Spirooxindoles are attractive bioactive agents and have been found in a variety of natural compounds, including alkaloids. They are widely investigated in the field of medicinal chemistry and play a key role in medication development, such as antivirals, anticancer agents, antimicrobials, etc. Regarding organic synthesis, several traditional and advanced strategies have been reported, particularly those that started with isatin derivatives.


Asunto(s)
Benzopiranos , Nitrilos , Compuestos de Espiro , Espirooxindoles , Simulación del Acoplamiento Molecular , Compuestos de Espiro/farmacología , Compuestos de Espiro/química , Oxindoles/farmacología , Oxindoles/química
2.
Int J Biol Macromol ; 264(Pt 1): 130454, 2024 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-38417758

RESUMEN

The demand for the functionalization of additive materials based on bacterial cellulose (BC) is currently high due to their potential applications across various sectors. The preparation of BC-based additive materials typically involves two approaches: in situ and ex situ. In situ modifications entail the incorporation of additive materials, such as soluble and dispersed substances, which are non-toxic and not essential for bacterial cell growth during the production process. However, these materials can impact the yield and self-assembly of BC. In contrast, ex situ modification occurs subsequent to the formation of BC, where the additive materials are not only adsorbed on the surface but also impregnated into the BC pellicle, while the BC slurry was homogenized with other additive materials and gelling agents to create composite films using the casting method. This review will primarily focus on the in situ and ex situ functionalization of BC then sheds light on the pivotal role of functionalized BC in advancing biomedical technologies, wound healing, tissue engineering, drug delivery, bone regeneration, and biosensors.


Asunto(s)
Celulosa , Ingeniería de Tejidos , Celulosa/metabolismo , Bacterias/metabolismo , Materiales Biocompatibles/metabolismo
3.
ACS Omega ; 9(19): 21538-21544, 2024 May 14.
Artículo en Inglés | MEDLINE | ID: mdl-38764656

RESUMEN

In this paper, novel pyridines 2-8 were designed and synthesized via the one-pot, four-component reaction of 2-formylphenyl 4-tolylsulfonate with malononitrile, ammonium acetate, and phenols or 2-thioxo-1,3-thiazolidin-4-one or 6-aminopyrimidine-2,4(1H,3H)-dione under microwave irradiation in an aqueous solution of water and ethanol (1:1 ratio). The structures of new pyridines 2-8 were elucidated by elemental and spectral analyses such as IR, 1H NMR, and 13CNMR. This application has many advantages, such as having easy workup, eco-friendliness, reaction time being short (6-13 min), high production (94-98%), inexpensiveness, and avoiding the use of harmful solvents. Moreover, all compounds have been investigated as insecticidal agents against cowpea aphid (Aphis craccivora) insects, and the toxicity effect was studied, followed by the structure-activity relationship. From the LC50 values, it has been found that compounds 7 and 8 were excellent and promising insecticidal agents, with LC50 values of 0.05 and 0.09 ppm against nymphs and 0.93 and 1.01 ppm against adults of cowpea aphid. Furthermore, the obtained results indicated that compounds 2-8 can be applied as insecticidal agents for the control of cowpea aphids and to protect agricultural crops from this destructive pest, which effects crop production and causes major economic damage.

4.
J Biomol Struct Dyn ; : 1-13, 2023 Nov 14.
Artículo en Inglés | MEDLINE | ID: mdl-37962847

RESUMEN

Preparation, characterization, and investigation of a novel organic charge transfer (CT) complex were carried out, with a focus on exploring its antibacterial and antifungal characteristics. Theoretical analysis backs up the experimental findings. CT complex formed was synthesized between 8-hydroxyquinoline (8HQ) and oxalic acid (OA) at RT (room temperature). Different analyses were used to describe the CT complex, including 1H-NMR, FTIR, TGA/DTA, and UV-vis spectra (in different solvents). These indicate that the CT interaction is linked to proton transfer from OA to 8HQ and the subsequent development of 'N+__H…O-" type bonding. On the basis of wave number, the CT complex and reactants are distinguished in FTIR spectra. By using Thermo gravimetric Analysis/Differential Thermal Analysis (TGA/DTA) tests, the thermal stability of complicated and thorough corrosion was examined. Through UV-visible spectroscopy, physical characteristics like ECT (interaction energy), RN (resonance energy), ID (ionization potential), f (oscillator strength) and ΔG (free energy) were calculated. The εCT (molar extinction coefficient), the KCT (formation constant), and additional physical properties of this complex were calculated by the Benesi-Hildebrand equation in order to determine its 1:1 stoichiometry. The biological properties are also supported by theoretical study. The protein, Human Serum Albumin (HSA), is observed to bind with CT complex, as shown by molecular docking and the observed binding energy value is -167.04 kcal/mol. Molecular dynamics (MD) simulation 100 ns run was used to refine docking results and binding free energy was calculated using MM-PBSA. This study introduces a novel CT complex, offering fresh perspectives on molecular interactions.Communicated by Ramaswamy H. Sarma.

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