Russian Journal of General Chemistry最新文献

In this study, the mechanism of the binding interaction of Zr(CUR), a novel six-coordinate complex of zirconium with a curcumin ligand and bovine serum albumin (BSA), was elucidated via fluorescence spectroscopy, Fourier transform infrared spectroscopy and molecular modeling methods. The analysis indicated that Zr(CUR) could effectively quench the endogenous fluorescence of BSA, forming a 1 : 1 complex with a static quenching mechanism. The distance between the donor (BSA) and acceptor [Zr(CUR)] was determined to be 1.19 nm on the basis of Forester’s theory of nonradiative energy transfer. The results of the infrared absorption spectrum revealed that the secondary structure of BSA changed. The molecular docking results demonstrated that the Zr(CUR) with the minimum binding energy is at position IIIA. Furthermore, as shown by the docking study, Zr(CUR) has several hydrogen bonds and van der Waals contacts with BSA. The synchronous fluorescence and Fourier transform infrared spectroscopy data revealed that Zr(CUR) could lead to conformational changes in BSA, which could affect its biological functions.

Worldwide, millions of people are impacted by cancer. In vitro antiproliferative activity of some pyrazole-bearing N-heterocycles was tested against HCT116 and MCF7 cancer cell lines, which showed the most efficacy of pyranoquinoline and chromene. Among molecular docking simulation towards cyclin-dependent kinase-2 (CDK2) protein, pyranoquinoline had the best docking, compared to doxorubicin and roscovitine (RRC), hinting at a possible mechanism of action (interactions with common amino acids). DFT simulation displayed unprecedented insights into these compounds' electronic properties and structure-activity relationships. Pyranoquinoline had the greatest softness and the lowest energy gap, increasing its reactivity to radical surface interactions. Compounds with notable antiproliferative activity were those with high electrophilicity values. Modeling pharmacokinetics simulation also revealed the ideal drug-likeness and oral bioavailability features of compounds. This research may aid in the creation of innovative, highly effective agents used in the battle against cancer and other infections in the future.

The Biginelli products (dihydropyrimidines) and their derivatives are among the most abundant types of organic compounds. They are widely used in a wide range of therapeutic applications. In this work, the Biginelli reaction was carried out in the presence of sulfonated biochar derived from eucalyptus bark as an eco-freindly natural catalyst. The catalyst was characterized by XRD, FTIR and SEM/EDS techniques. The study also relates to the effects of some parameters on the yield and kinetics of the reaction, the effects of catalyst amount, temperature, catalyst regeneration and introduction order of reagents. High yields, short time, recyclability of the catalyst, simple product isolation are the noteworthy aspects of this protocol.

This study aimed to improve the bioavailability and increase the therapeutic efficacy of Hes against breast cancer by using pH and temperature-sensitive smart polymeric nanoparticles. Poly(2-hydroxyethyl methacrylate) (pHEMA) is a synthetic polymer composed of HEMA monomers, suitable for medical applications due to its biocompatibility and cytocompatibility. Vinyl imidazole and poly(N-isopropylacrylamide) copolymers were used to impart pH sensitivity and temperature-sensitive properties to the pHEMA polymer, respectively. Both non-loaded and hesperidin-loaded smart nanoparticles (HesSNPs) were characterized by FTIR. The particle size and size distribution of HesSNPs were determined by dynamic light scattering analysis. Scanning electron microscopy was used to determine morphological characterization. Additionally, the effects of HesSNPs on cell proliferation, apoptosis, and cell cycle in breast cancer were also examined. The MTT assay was used to evaluate the cytotoxic effects of HesSNPs on MCF-7 cells at different concentrations (10–20 µM) for 24 h. It was found that MCF-7 cell proliferation in HesSNPs-1, HesSNPs-2, HesSNPs-3, and free hesperidin group decreased statistically significantly compared to the control group, depending on the dose (p < 0.05). The apoptotic effect was examined with the Annexin V-PI Staining Method in flow cytometry. The increase in the rate of apoptosis cells in the experimental groups was found to be statistically significant compared to the control group. Furthermore, it was determined that the nanoparticles induced apoptosis and increased the number of cells arrested in the G1 phase of the cell cycle.

Eighteen indole target compounds were synthesized from 3-(6-bromo-3-indolyl)propionic acid. The chemical structures were determined by ¹H NMR, ¹³C NMR, and HRMS. Bioactivity assays revealed that 3-(6-bromo-3-indolyl)-N-(3-fluorophenyl)propenamide exhibited the most potent inhibitory effect on methicillin-resistant Staphylococcus aureus (MRSA) endogenous H₂S at a concentration of 40 μM, with an inhibitory rate of 80.2±0.92%. The results of antibacterial experiments showed that co-administering partial target compounds with oxacillin sodium reduced the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of MRSA by 50% when compared to oxacillin sodium alone. Further studies revealed that the synergistic antimicrobial mechanism is closely related to the Fenton reaction. The results of the cytotoxicity assay showed that 3-(6-bromo-3-indolyl)-N-(4-chlorobenzyl)propenamide had the least inhibitory effect on BEAS-2B cells. The experimental results of this study may provide references and ideas for the treatment of MRSA infection.

In this study, a series of novel pyrimidine derivatives incorporating an 1,1,2-trifluoro-1-butene moiety were synthesized and their structures were confirmed by ¹H NMR, ¹³C NMR, and HRMS. The bioassay results demonstrate that 4-methyl-2-[(3,4,4-trifluorobut-3-en-1-yl)thio]-6-(trifluoromethyl)pyrimidine exhibits comparable in vitro antifungal activity against Aspergillus niger (64.55 and 48.85%, respectively) at concentrations of 100 and 50 μg/mL when compared to Prochloraz. Additionally, 4-methyl-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfonyl]-6-(trifluoromethyl)pyrimidine demonstrates superior nematocidal activity against Caenorhabditis elegans at concentrations of 100 and 50 μg/mL after 48 h with corrected mortality rates of 89.65 and 79.47%, respectively, surpassing those observed for ethoprophos. To the best of our knowledge, this study presents the first report on the synthesis and antifungal and nematocidal activities of novel pyrimidine derivatives incorporating an 1,1,2-trifluoro-1-butene moiety.

A green method of the synthesis of 1,2-benzisoxazole, isoxazolo- and isothiazolo-quinoline from 2-hydroxyaryl ketoximes in the presence of [BMIM(SO₂Cl)][OTs] ionic liquid has been demonstrated under microwave irradiation. The noticeable advantages of this method over other reported methods are less reaction time, simple work-up procedure and excellent yields (85–96%). The method also highlights the reuse and recycle of ionic liquid employed (up to four cycles) with negligible loss of yield.

Here, we have synthesized the 2-mercaptopyrimidine derivative for noncovalent interactions and their antimicrobial activities. The non-covalent interactions have been carried out by crystallographic studies, revealed that it showed different interactions such as C–H∙∙∙N, C–H∙∙∙S and S∙∙∙π. Further, these intermolecular interactions have also been quantified by Hirshfeld surface analysis, and NIC calculation. Chimera 1.17.3 software is used for molecular docking studies with (protein ID: 1JIJ) and Discovery Studio is used for analyzing the docking results. The in vitro antifungal activity has been done against two fungal strains (C. albicans and A. niger) and antimicrobial activity has been done against two strains (S. aureus and P. aeruginosa).

New tripodal tricarboxylic acids on the triphenylphosphine oxide platform [2-HO(O)C(CH₂)_nOC₆H₄]₃PO with different linker length (n = 1, 3) have been prepared. Their composition and structure have been determined by elemental analysis, IR and multinuclear (¹H, ¹³C, ³¹P) NMR spectroscopy, and X-ray diffraction analysis. The complexes of the tripodal ligands with La(III) have been prepared; their composition and structure have been investigated by means of elemental analysis and IR spectroscopy.

Tetrakis-benzimidazoles are tetrapodal compounds with multidentate ligand properties, including at least tetradentate provided by the C=N nitrogen atoms in each benzimidazole unit, and they can be obtained in their many derivatives. There are also tetrakis-benzimidazole derivatives that contain atoms such as N and O in the bridge units and thus exhibit various donor properties up to octadentate. Because of these properties, they are similar to EDTA (ethylenediamminetetraacetic acid) which is a medication used in the management and treatment of heavy metal toxicity, and attract the attention of researchers. The applications of tetrakis-benzimidazole derivatives and various metal complexes in many fields such as corrosion inhibitor, catalyst, enzyme inhibitor, superoxide dismutase, catalase activity, superoxide oxidase, DNA affinity, determination of H₂O₂, were investigated. In this study, a comprehensive review was conducted on tetrakis-benzimidazoles: their synthesis routes, properties, various metal complexes, features and application areas have been reviewed and compiled in order to be useful for researchers who will work in this field.