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In this study, new Schiff base derivatives of α-naphthalene acetic acid containing alkyl phenyl ether fragment have been effectively synthesized through multistep reaction process, characterized by ¹H-NMR and ¹³C-NMR spectroscopy. These derivatives have been tested for their in vitro α-amylase and α-glucosidase inhibitory activities. In the series, 8 compounds (2j, 2f, 2e, 2m, 2a, 2b, 2l, and 2c) exhibited promising α-amylase inhibition with IC₅₀ values from 5.38 ± 0.36  to 14.59 ± 0.64 µg/mL. Similarly, in the case of α-glucosidase inhibitory activity, 10 derivatives (2e, 2f, 2j, 2m, 2b, 2c, 2i, 2d, 2a, and 2l) exhibited excellent activity having IC₅₀ values from 6.96 ± 0.39 to 16.27 ± 0.31 µg/mL, wheras the remaining derivatives exhibited good-to-least antidiabetic potential. The ADME properties were calculated for all Schiff base derivatives using Swiss-ADME web tool. Furthermore, the docking studies identified the binding modes of the compounds.

In this study, the density functional theory (DFT) method is used to theoretically investigate the nonlinear optical (NLO) properties of natural carbazoles. The selected carbazoles have significant NLO characteristics. Using the B3LYP/6-311++G(d,p) and CAM-B3LYP/6-311++G(d,p) level theories, the linear optical absorption, HOMO-LUMO energy gap, molecular electrostatic potential (MEP), and dipole moments were calculated. The first hyperpolarizability (β₀), second hyperpolarizability (γ), and static and dynamic linear polarizability (α₀) components were computed. Electron correlation was obtained, which was compared with NLO and docking studies showing good relation with both. All carbazole compounds demonstrate good optoelectronic qualities that promote their potential use in electronic devices, as demonstrated by the frequency-dependent dynamic hyperpolarizabilities of the B3LYP/6-311++G(d,p) and CAM-B3LYP/6-311++G(d,p) functionals at 532 and 1064 nm wavelengths. The results of the molecular docking study shows that CBZ molecules exhibit a strong affinity for both Malassezia globosa (SMG1) lipase targets. The docking data demonstrated a strong binding ability, with CBZ7 and CBZ3. This indicates that CBZ7 and CBZ3 outperform all other compounds and have a high binding capability to the target protein.

Triple-negative breast cancer (TNBC) lacks expression of the oestrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor 2 (HER2/neu), has an aggressive tumor phenotype, shows only a partial response to chemotherapy, and lacks clinically established targeted therapies. Therefore, there is a need to develop more effective drugs for the treatment of TNBC. The ferrocenyl benzoxazine and α-aminocresols class of compounds gave a potential source of multimodal inhibitors of cancer based on previous studies. In this study, a set of ferrocenyl benzoxazines and α-aminocresols were screened and characterized as potential inhibitors of TNBC in vitro. A panel of 11 compounds was screened for selective cytotoxicity to cancer cells over normal cell equivalents. Focusing on the previously proposed modes of action of their building blocks, α-aminocresols 3a and 3b exhibited significant DNA binding capabilities and caused robust DNA damage in TNBC cells. In addition, both compounds exhibited significant ROS generation capability; however, introducing a ROS quencher in a cell viability assay only partially rescued the cells from the cytotoxicity effects of the α-aminocresols. This, together with the observation that compounds 3a and 3b triggered significant protein aggregation in HCC1806 cells, supports a mixed mode of action for these compounds.

In order to improve the delivery performance of curcumin (CUR) in liver cancer cells, we prepared a targeted and reduction-sensitive prodrug, folic acid-polyethylene glycol-disulfide bond-curcumin (FA-PEG-SS-CUR). The synthesis involved the conjugation of CUR with NH₂-PEG-NH₂ through a disulfide bond, followed by the connection of CUR-SS-PEG-NH₂ to FA-COOH via acylation. The resultant FA-PEG-SS-CUR prodrug self-assembled into nano micelles in aqueous solutions, displaying excellent dispersibility with an approximate particle size of 119 nm. In vitro drug release studies demonstrated the sensitivity of FA-PEG-SS-CUR to glutathione (GSH), displaying sustained release performance. After 72 h, FA-PEG-SS-CUR exhibited a drug release rate of 38% at low GSH concentration and 59% at high GSH concentration. Notably, FA-PEG-SS-CUR micelles exhibited favorable biocompatibility. The hemolysis rate resulting from co-incubation with red blood cells remained below 3%. Furthermore, cytotoxicity experiments unveiled the substantial cytotoxicity of FA-PEG-SS-CUR micelles against HepG2 tumor cells. Cellular uptake studies confirmed the greater internalization of FA-PEG-SS-CUR by HepG2 cells compared to the non-targeted PEG-SS-CUR. The findings highlight the potential of FA-PEG-SS-CUR as an ideal drug delivery system for CUR due to its facile synthesis and strong self-assembly performance.

A straightforward access to various substituted 2-arylallylmalonates from readily available donor-Acceptor (D-A) cyclobutanes catalyzed by Al(OTf)₃ in the presence of thiourea is reported. This is a new and convenient approach for isomerization of donor-acceptor cyclobutanes into 2-arylallylmalonates.

Designing potential architectures by the modification of conventional electrode materials is an effective approach in the development of high performance supercapacitor electrodes. The present study investigated the effect of varying anodization voltages (50, 75, and 100 V) on the morphology and electrochemical properties of titanium nanotubes (TNT). Molybdenum was doped onto TNT using a simple hydrothermal procedure, followed by thermal treatment at 450 °C. The study effectively demonstrated control over the dimensions of the nanotube structure by adjusting the anodization voltage. Additionally, it was found that the tube diameters were increased due to etching during the hydrothermal treatment with the Mo precursor, which potentially enhanced the supercapacitive performance of Mo-doped TNT. Further, structural analysis revealed that Mo doping improved both crystallinity and electrode stability. With an optimal anodization voltage of 100  V, TNT and Molybdenum-doped TNT could exhibit capacitance value of 13.34 and 326.54 mF cm⁻² respectively, at a current density of 1 mA cm⁻². Furthermore, the electrode demonstrated good cyclic stability with 88% capacitance retention and 97% coulombic efficiency after 5000 cycles. An impressive energy density of 87.03 µWh cm⁻² and a power density of 799.99 µW cm⁻² could be achieved with this sample in an asymmetrical device.

Antimicrobial resistance (AMR), which develops into superbugs, poses a significant challenge to global health leading to 4.95 million deaths in 2019, necessitating the exploration of alternative strategies. AMR is responsible for a significant economic cost estimated by the World Bank, where AMR could result in additional healthcare costs of US$ 1 trillion by 2050. Thus, overcoming these drawbacks is of great importance. Fortunately, the advent of 21st century nanotechnology provides an ample opportunity to develop diverse nanomaterials along with specific functionalization to treat bacteria, fungi, or viruses more effectively with the combination of innovative technologies. Among these, silver nanoparticles (AgNPs) are considered a great boon in the area of AMR, which has a long history of practice. However, in recent years, Ag-based composites have been designed by scientists to enhance their antimicrobial effects at minimal concentrations, thereby depending on synergism. Thus, in this review, we provide an update on the recent advances in Ag-based composites with metals, polymers, and carbon for various antimicrobial applications. In addition, we focused on the mechanisms that assist in tackling microbes and the toxicity of AgNPs. Thus, in this review, we highlight the synergistic effects of AgNP-based composites in combating several microorganisms.

In this study, we have synthesized a series of novel quinoxaline based bisspirooxindoles through green protocol using ionic liquid [Bmim]BF₄. All the compounds were well characterized by spectroscopic methods like FT-IR, ¹H NMR, ¹³C NMR, mass and finally the structures were authenticated by single crystal X-ray diffraction (SCXRD) (4e). The target compounds were evaluated for their anticancer activity with different cancer cell lines like MDAMB-231, MCF-7, MCF-10A, HCC-1395, Molt-4, and FaDU. The compounds 4d, 4g, 4m, and 4n showed 42.0%, 43.3%, 52.7%, and 56.0 percentage of growth inhibition respectively with the T cell acute lymphoblastic Molt-4 cell line. The compounds 4b, 4c, 4 h, 4k, and 4m have shown 30%–39% of growth inhibition against FaDU cell line. Further, anticancer activity was validated with in silico molecular docking and molecular dynamics simulations. The outcomes of dynamics simulations exclusively emphasize that the compounds bind to HIS⁸⁶² and TYR⁸⁹⁶ residues which are among the catalytic triad of PARP1. Finally, the results of ADME is also used to assess the drug likeness, which clearly shows that our target compounds are adaptable as potential drug pathways for medicinal chemists.

Organophosphorus compounds have been widely used as achiral and chiral ligands in organic synthesis (PPh₃, BINAP, dppe, Duphos, Xantphos, PPFA, Chiraphos, SEGPHOS), flame retardants, functional materials (LED, PV), as well as agrochemicals and medicines due to their broad biological activities. As the privileged versatile building blocks, 1,n-enynes have been successfully applied in the synthesis of various functionalized cyclic compounds based on their two active unsaturated chemical bonds (C═C double and C≡C triple bonds). With the development of highly selective and efficient methods in organic chemistry, various organophosphorus cyclic compounds synthesis through radical cascade strategy has attracted considerable attention in recent years. In here, we have summarized the recent main achievements in the radical cascade reactions of 1,n-enynes with phosphorus-centered radicals. Furthermore, we also displayed the detailed reaction mechanisms in this review.

A simple, straightforward, and highly efficient greener approach for synthesizing bis(6-aminouracil-5-yl)methane derivatives was developed by employing β-cyclodextrin-SO₃H as supramolecular catalyst in water at 100 °C. A total of 16 bis(6-aminouracil-5-yl)methanes were synthesized via a one-pot reaction between substituted aromatic aldehydes, 6-amino-1,3-dimethyluracil, and 10% β-cyclodextrin-SO₃H in water with 84%–92% yield within 20–120 min. The salient features of this protocol included water as green solvent, β-cyclodextrin-SO₃H as recyclable supramolecular catalyst, mild reaction conditions, easy isolation of pure products, and good to excellent yields.