Ionic-Liquid-Stabilized TiO2 Nanostructures: A Platform for Detection of Hydrogen Peroxide.

Hydrogen peroxide (H2O2) acts as a signaling molecule to direct different biological processes. However, its excess amount results in oxidative stress, which causes the onset of different types of cancers. TiO2 nanostructure was synthesized by a facile hydrothermal method. The prepared material was characterized by FTIR spectroscopy, XRD, SEM, EDX, TGA, and Raman spectroscopy, which confirmed the formation of nanostructured material. Subsequently, the prepared nanoparticles (NPs) were capped with 1-H-3-methylimidazolium acetate ionic liquid (IL) to achieve its deagglomeration and functionalization. A new colorimetric sensing probe was prepared for the detection of H2O2 based on ionic liquid-capped TiO2 nanoparticles (TiO2/IL) and 3,3',5,5'-tetramethylbenzidine (TMB) dye, which acts as an oxidative chromogenic substrate. H2O2 reacts with TMB, in the presence of ionic liquid-coated TiO2 NPs, to form a blue-green product. The color was visualized with the naked eye, and the colorimetric change was confirmed by a UV-vis spectrophotometer. To obtain the best response of the synthesized sensor, different parameters (time, pH, concentrations, loading of nanomaterials) were optimized. It showed a low limit of detection 8.61 × 10-8 M, a high sensitivity of 2.86 × 10-7 M, and a wide linear range of 1 × 10-9-3.6 × 10-7 M, with a regression coefficient (R 2) value of 0.999. The proposed sensor showed a short incubation time of 4 min. The sensing probe did not show any interference from the coexisting species. The TiO2/IL sensor was effectively used for finding H2O2 in the urine samples of cancer patients.

In Silico, Cytotoxic and Antioxidant Potential of Novel Ester, 3-hydroxyoctyl -5- trans-docosenoate Isolated from Anchusa arvensis (L.) M.Bieb. Against HepG-2 Cancer Cells.

BACKGROUND: Cancer is one of the chronic health conditions worldwide. Various therapeutically active compounds from medicinal plants were the current focus of this research in order to uncover a treatment regimen for cancer. Anchusa arvensis (A. anchusa) (L.) M.Bieb. contains many biologically active compounds. METHODS: In the current study, new ester 3-hydroxyoctyl -5- trans-docosenoate (compound-1) was isolated from the chloroform soluble fraction of A. anchusa using column chromatography. Using MTT assay, the anticancer effect of the compound was determined in human hepatocellular carcinoma cells (HepG-2) compared with normal epithelial cell line (Vero). DPPH and ABTS radical scavenging assays were performed to assess the antioxidant potential. The Molecular Operating Environment (MOE-2016) tool was used against tyrosine kinase. RESULTS: The structure of the compound was elucidated based on IR, EI, and NMR spectroscopy technique. It exhibited a considerable cytotoxic effect against HepG-2 cell lines with IC50 value of 6.50 ± 0.70 µg/mL in comparison to positive control (doxorubicin) which showed IC50 value of 1.3±0.21 µg/mL. The compound did not show a cytotoxic effect against normal epithelial cell line (Vero). The compound also exhibited significant DPHH scavenging ability with IC50 value of 12 ± 0.80 µg/mL, whereas ascorbic acid, used as positive control, demonstrated activity with IC50 = 05 ± 0.15 µg/mL. Similarly, it showed ABTS radical scavenging ability (IC50 = 130 ± 0.20 µg/mL) compared with the value obtained for ascorbic acid (06 ± 0.85 µg/mL). In docking studies using MOE-2016 tool, it was observed that compound-1 was highly bound to tyrosine kinase by having two hydrogen bonds at the hinge region. This good bonding network by the compound might be one of the reasons for showing significant activity against this enzyme. CONCLUSION: Our findings led to the isolation of a new compound from A. anchusa which has significant cytotoxic activity against HepG-2 cell lines with marked antioxidant potential.

ß-Sitosterol from Ifloga spicata (Forssk.) Sch. Bip. as potential anti-leishmanial agent against leishmania tropica: Docking and molecular insights.

The current study was aimed to evaluate the anti-leishmanial potentials of ß-sitosterol isolated from Ifloga spicata. The anti-leishmanial potential of ß-sitosterol is well documented against Leishmania donovani and Leishmania amazonensis but unexplored against Leishmania tropica. Structure of the compound was elucidated by FT-IR, mass spectrometry and multinuclear (1H and 13C) magnetic resonance spectroscopy. The compound was evaluated for its anti-leishmanial potentials against L. tropica KWH23 using in vitro anti-promastigote, DNA interaction, apoptosis, docking studies against leishmanolysin (GP63) and trypanothione reductase (TR) receptors using MOE 2016 software. ß-sitosterol exhibited significant activity against leishmania promastigotes with IC50 values of 9.2 ±â€¯0.06 µg/mL. The standard drug glucantaime showed IC50 of 5.33 ±â€¯0.07 µg/mL. Further mechanistic studies including DNA targeting and apoptosis induction via acridine orange assay exhibited promising anti-leishmanial potentials for ß-sitosterol. Molecular docking with leishmanolysin (GP63) and trypanothione reductase (TR) receptors displayed the binding scores of ß-sitosterol with targets TR and GP63 were -7.659 and -6.966 respectively. The low binding energies -61.54 (for TR) and -33.24 (for GP63) indicate that it strongly bind to the active sites of target receptors. The results confirmed that ß-sitosterol have considerable anti-leishmanial potentials and need further studies as potential natural anti-leishmanial agent against L. tropica.