Isoxazolidine derivatives were designed, synthesized, and characterized using different spectroscopic techniques and elemental analysis and then evaluated for their ability to inhibit both α-amylase ...and α-glucosidase enzymes to treat diabetes. All synthesized derivatives demonstrated a varying range of activity, with IC
values ranging from 53.03 ± 0.106 to 232.8 ± 0.517 μM (α-amylase) and from 94.33 ± 0.282 to 258.7 ± 0.521 μM (α-glucosidase), revealing their high potency compared to the reference drug, acarbose (IC
= 296.6 ± 0.825 µM and 780.4 ± 0.346 µM), respectively. Specifically, in vitro results revealed that compound
achieved the most inhibitory activity with IC
values of 5.59-fold and 8.27-fold, respectively, toward both enzymes, followed by
. Kinetic studies revealed that compound
inhibits both enzymes in a competitive mode. Based on the structure-activity relationship (SAR) study, it was concluded that various substitution patterns of the substituent(s) influenced the inhibitory activities of both enzymes. The server pkCSM was used to predict the pharmacokinetics and drug-likeness properties for
, which afforded good oral bioavailability. Additionally, compound
was subjected to molecular docking to gain insights into its binding mode interactions with the target enzymes. Moreover, via molecular dynamics (MD) simulation analysis, it maintained stability throughout 100 ns. This suggests that
possesses the potential to simultaneously target both enzymes effectively, making it advantageous for the development of antidiabetic medications.
A series of novel enantiopure isoxazolidine derivatives were synthesized and evaluated for their anticancer activities against three human cancer cell lines such as human breast carcinoma (MCF-7), ...human lung adenocarcinoma (A-549), and human ovarian carcinoma (SKOV3) by employing MTT assay. The synthesized compounds were characterized by NMR and elemental analysis. Results revealed that all the synthesized compounds displayed significant inhibition towards the tested cell lines. Among them,
and
, which differ only by the presence of an ester group at the C-3 position and small EDG (methyl) at the C-5 position of the phenyl ring (
), were the most active derivatives in attenuating the growth of the three cells in a dose-dependent manner. The IC
for
were 17.7 ± 1 µM (MCF-7), 12.1 ± 1.1 µM (A-549), and 13.9 ± 0.7 µM (SKOV3), and for
were 9.7 ± 1.3µM (MCF-7), 9.7 ± 0.7µM (A-549), and 6.5 ± 0.9µM (SKOV3), respectively, which were comparable to the standard drug, doxorubicin. The enzymatic inhibition of
and
against EGFR afforded good inhibitory activity with IC
of 0.298 ± 0.007 μM and 0.484 ± 0.01 µM, respectively, close to the positive control, Afatinib. Compound
arrested the cell cycle in the S phase in MCF-7 and SKOV3 cells, and in the G2/M phase in the A549 cell; however,
induced G0/G1 phase cell cycle arrest, and inhibited the progression of the three cancer cells, together with significant apoptotic effects. The docking study of compounds
and
into EGFR ATP-active site revealed that it fits nicely with good binding affinity. The pharmacokinetic and drug-likeness scores revealed notable lead-like properties. At 100 ns, the dynamic simulation investigation revealed high conformational stability in the EGFR binding cavity.
Throughout this research, a unique optical sensor for detecting one of the most dangerous heavy metal ions, Cu(II), was designed and developed. The (4-mercaptophenyl) iminomethylphenyl naphthalenyl ...carbamate (MNC) sensor probe was effectively prepared. The Schiff base of the sensor shows a "turn-off" state with excellent sensitivity to Cu(II) ions. This innovative fluorescent chemosensor possesses distinctive optical features with a substantial Stocks shift (about 114 nm). In addition, MNC has remarkable selectivity for Cu(II) relative to other cations. Density functional theory (DFT) and the time-dependent DFT (TDDFT) theoretical calculations were performed to examine Cu(II) chelation structures and associated electronic properties in solution, and the results indicate that the luminescence quenching in this complex is due to ICT. Chelation-quenched fluorescence is responsible for the internal charge transfer (ICT)-based selectivity of the MNC sensing molecule for Cu(II) ions. In a 1:9 (
/
) DMSO-HEPES buffer (20 mM, pH = 7.4) solution, Fluorescence and UV-Vis absorption of the MNC probe and Cu(II) ions were investigated. By utilizing a solution containing several metal ions, the interference of other metal ions was studied. This MNC molecule has outstanding selectivity and sensitivity, as well as a low LOD (1.45 nM). Consequently, these distinctive properties enable it to find the copper metal ions across an actual narrow dynamic range (0-1.2 M Cu(II)). The reversibility of the sensor was obtained by employing an EDTA as a powerful chelating agent.
A novel series of benzimidazole ureas
were elaborated using 2-(1
-benzoimidazol-2-yl) aniline
and the appropriate isocyanates
. The antioxidant and possible antidiabetic activities of the target ...benzimidazole-ureas
were evaluated. Almost all compounds
displayed strong to moderate antioxidant activities. When tested using the three antioxidant techniques, TAC, FRAP, and MCA, compounds
and
exhibited marked activity. The most active antioxidant compound in this family was compound
, which had excellent activity using four different methods: TAC, FRAP, DPPH-SA, and MCA. In vitro antidiabetic assays against α-amylase and α-glucosidase enzymes revealed that the majority of the compounds tested had good to moderate activity. The most favorable results were obtained with compounds
,
, and
, and analysis revealed that compounds
(IC
= 18.65 ± 0.23 μM),
(IC
= 20.7 ± 0.06 μM), and
(IC
= 22.33 ± 0.12 μM) had good α-amylase inhibitory potential comparable to standard acarbose (IC
= 14.21 ± 0.06 μM). Furthermore, the inhibitory effect of
(IC
= 17.47 ± 0.03 μM),
(IC
= 21.97 ± 0.19 μM), and
(IC
= 23.01 ± 0.12 μM) on α-glucosidase was also comparable to acarbose (IC
= 15.41 ± 0.32 μM). According to in silico molecular docking studies, compounds
had considerable affinity for the active sites of human lysosomal acid α-glucosidase (HLAG) and pancreatic α-amylase (HPA), indicating that the majority of the examined compounds had potential anti-hyperglycemic action.
A novel nanocomposite material, Ag@NiO@g-C3N4, was synthesized using ultrasonic irradiation with Ag@NiO as precursor materials. X-ray diffraction (XRD) analysis confirmed the formation of g-C3N4 and ...anatase Ag@NiO phases within the nanocomposite. Transmission electron microscopy (TEM) imaging revealed the deposition of Ag@NiO nanoparticles onto g-C3N4 layers. X-ray photoelectron spectroscopy (XPS) verified the presence of C, N, O, Ni, and Ag in the nanocomposite. The synthesized nanocomposite exhibited a significantly increased surface area of 94.705 m2/g and a reduced energy band gap of 3.07 eV. The photocatalytic activity of NiO nanoparticles, Ag@NiO nanoparticles, g-C3N4 nanosheets, and the Ag@NiO@g-C3N4 nanocomposite was evaluated under visible light irradiation. The Ag@NiO@g-C3N4 nanocomposite demonstrated superior photocatalytic performance compared to the individual components. The photocatalytic degradation of indigo carmine (IC) dye was used to assess the photocatalytic activity, and the Ag@NiO@g-C3N4 nanocomposite exhibited exceptional efficacy exhibited a significantly higher reaction rate, estimated to be approximately 100 times faster than the unmodified process. This observation implies that the Ag@NiO@g-C3N4 nanocomposite exhibits potential as a viable material for various environmental applications.
•Eco-friendly Synthesis of Ag@NiO@g-C3N4 Nanocomposites was introduced.•Advanced techniques were employed to characterize the fabricated nanostructures.•Ag@NiO@g-C3N4 nanocomposite was investigated for its photocatalytic properties.•The photocatalytic performance was assessed using indigo carmine (IC) dye.
A new Schiff base ligand, 2-((E)-((4-(((E)-benzylidene)amino)phenyl)imino)methyl)-naphthalene-1-ol, was prepared by the reflux condensation of p-phenylenediamine with 2-hydroxy-1-naphthaldehyde and ...benzaldehyde. Metal complexes were prepared by reacting the ligand with metal salts: VCl3, CrCl3·6H2O, MnCl2·3H2O, FeCl3·6H2O, CoCl3·6H2O, NiCl2·6H2O, CuCl2·2H2O, and ZnCl2. The ligand and its metallic complexes were characterized by various techniques such as elemental analysis, AAS, NMR, IR, UV–Vis, TGA, DTA, XRD and TEM. The data confirmed that the ligand coordinated with the metal ions in a bidentate nature, bonding through its azomethine nitrogen atom and phenolic oxygen atom; this gave an octahedral geometry. The XRD patterns of the complexes indicated that they were of various structures: the Mn(II), Co(III), and Cu(II) complexes were triclinic, the ligand and Ni(II) complex were orthorhombic, the V(III) and Zn(II) complexes were hexagonal, the Cu(II) complex was monoclinic, and the Fe(II) complex was cubic. TEM analysis confirmed that the complexes were nanoscale in nature. The antibacterial and antifungal activities of the ligand and its complexes against Salmonella enterica serovar typhi and Candida albicans were investigated by the hole plate diffusion method. It was observed that the Co(II) and Zn(II) complexes had intermediate antibacterial activities, while the V(III) complex had the highest activity against C. albicans fungi. The in vitro anticancer activities of the ligand and its metal complexes were tested towards PC-3, SKOV3, and HeLa tumour cell lines, where they exhibited higher antitumour activities against these selected human cell lines than clinically used drugs such as cisplatin, estramustine, and etoposide.
2-((E)-((4-(((E)-4-Nitrobenzylidene)amino)phenyl)imino)methyl)naphthalen-1-ol, was synthesised followed by metalation with Fe(III), Co(III), Cu(II), Zn(II) and Ni(II) metals. The compounds were ...characterised by different methods CHN, AAS, IR, NMR, XRD, TGA and UV-Vis. The results reveal that the ligand has bidentate behavior, and it is bound with metals by a coordination bond through both the nitrogen atom of the azomethine group and the oxygen atom, this provided an octahedral geometry. The X-ray diffraction of the compounds indicate that the ligands and complexes of Co(III), Fe(III) and Zn(II) have a crystalline nature, whereas the Ni(II) and Cu(II) have an amorphous structure. The agar diffusion method (hole plate) was used to evaluate the ligand's and its complexes' antibacterial and antifungal effects on Salmonella enterica serovar typhi and Candida albicans, respectively. It was observed that the Fe(III) complex had the best activity among the compounds against microbial strains. Cytotoxicity of new metal complexes was also assessed against A549, HepG-2 and PC-3 cancer cells. Results demonstrated that the Cu(II) complex displayed the preeminent activity among the synthesised compounds against all the tested cell lines. Furthermore, molecular docking simulation revealed that the Fe(III) complex is shown to have a high affinity with the active sites of two targets of microbial strains. Also, the Cu(II) complex shown to has a high affinity with the active sites of three targets of A-549, HepG-2 and PC-3 cancer cells, which was confirmed by the formation of the different modes of interaction.
Communicated by Ramaswamy H. Sarma
2-((E)-(4-((E)-4-chlorobenzylidene)amino)phenyl)imino)methyl)naphthalen-1-ol, a new Schiff base ligand, was made and then metalated with Mn(II), Co(III), Ni(II), Cu(II) and Zn(II) metal ions. The ...compounds were characterised by different techniques, such as CHN, AAS, IR, NMR, UV–Vis, TGA, and XRD. The result confirmed that the ligand coordinated with the metals in a bidentate nature, bonding through phenolic oxygen and azomethine nitrogen atom with an octahedral geometry. The XRD patterns of the compounds indicate that ligand and complexes of Mn(II) and Zn(II) have a crystalline nature, while the Co(III), Ni(II), and Cu(II) complexes have an amorphous structure. The agar diffusion method (hole plate) was used to evaluate the ligand's and its complexes' antibacterial and antifungal effects on
Candida albicans
and
Salmonella enterica
ser. typhi, respectively. It was observed that the Co(III) complex had the highest activity among the compounds against microbial strains. The IC
50
values demonstrated that the Cu(II) complex displayed the highest activity among all the synthesised compounds against A549, HepG-2, and PC-3 cancer cell lines. Furthermore, molecular docking simulation revealed that the Co(III) complex was shown to have a high binding affinity with the active sites of two targets of microbial strains. Also, it was shown that the Cu(II) complex has a high binding affinity with the active sites of three targets in the cancer cell lines A549, HepG-2, and PC-3. This was shown by the way the different modes of interactions formed.
This study investigated the photocatalytic degradation of RB dye by V2O5@g-C3N4 nano-catalysts. The sonication method was utilized to create V2O5@g-C3N4 nano-catalysts. V2O5@g-C3N4 nano-catalysts ...were characterized using X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), high-resolution electron microscopy (TEM), BET-surface area analyzer, X-ray photoelectron spectroscopy (XPS), and ultraviolet spectroscopy. In the meantime, the photocatalytic activity, pH, and photocatalyst dosage are investigated in depth to account for RB dye decolorization. The rate constant for RB dye photodegradation was 0.0517 (min−1) and the decolorization rate was 93.4%. The degrading efficiency of RB dye by V2O5@g-C3N4 nanocatalysts is consistent with pseudo-first-order kinetics. The results of this study demonstrated that V2O5@g-C3N4 nanocatalysts are particularly effective at destroying dyes in water.
This research examined the production of a V2O5-g-C3N4 nanocomposite to remove organic dyes from wastewater. To generate the V2O5-g-C3N4 nanocomposite, the sonication method was applied. The testing ...of V2O5-g-C3N4 with various dyes (basic fuchsin (BF), malachite green (MG), crystal violet (CV), Congo red (CR), and methyl orange (MO)) revealed that the nanocomposite has a high adsorption ability towards BF, MG, CV, and CR dyes in comparison with MO dye. It was established that the modification of pH influenced the removal of CV by the V2O5-g-C3N4 nanocomposite and that under optimal operating conditions, efficiency of 664.65 mg g−1 could be attained. The best models for CV adsorption onto the V2O5-g-C3N4 nanocomposite were found to be those based on pseudo-second-order adsorption kinetics and the Langmuir isotherm. According to the FTIR analysis results, the CV adsorption mechanism was connected to π–π interactions and the hydrogen bond.
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