The study of the interactions between nanoparticles (NPs) and proteins has had a pivotal role in facilitating the understanding of biological effects and safe application of NPs after exposure to the physiological environment. Herein, for the first time, the interaction between L-methionine capped silver nanoparticles (AgMet), and bovine serum albumin (BSA) is investigated in order to predict the fate of AgMet after its contact with the most abundant blood transport protein. The detailed insights into the mechanism of interaction were achieved using different physicochemical techniques. The UV/Vis, TEM, and DLS were used for the characterization of the newly formed “entity”, while the kinetic and thermodynamic parameters were utilized to describe the adsorption process. Additionally, the fluorescence quenching and synchronous fluorescence studies enabled the prediction of the binding affinity and gave us insight into the influence of the adsorption on the conformation state of the BSA. According to the best of our knowledge, for the first time, we show that BSA can be used as an external stabilizer agent which is able to induce the peptization of previously agglomerated AgMet. We believe that the obtained results could contribute to further improvement of AgNPs’ performances as well as to the understanding of their in vivo behavior, which could contribute to their potential use in preclinical research studies.

We have synthesized 22 C-1 functionalized-N-aryl-1,2,3,4-tetrahydroisoquinoline derivatives showing biological activities towards cholinergic enzymes. Synthesis was performed using visible-light-promoted photo-redox chemistry, starting from a common intermediate, and the application of this synthetic methodology drastically simplified synthetic routes and purification of desired compounds. All synthesized derivates were divided into four groups based on the substituents in the C-1 position, and their inhibition potencies towards two cholinergic enzymes, acetyl- and butyrylcholinesterase were evaluated. Most potent derivatives were selected, and kinetic analysis was further carried out to obtain insights into the mechanisms of inhibition of these two enzymes. Further validation of the mode of inhibition of cholinergic enzymes by the two most potent THIQ compounds, 3c and 3i, was performed using fluorescence-quenching titration studies. Molecular docking studies further confirmed the proposed mechanism of enzymes’ inhibition. In silico predictions of physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry friendliness of the selected most potent derivatives were performed using Swiss ADME tool. This was followed by UPLC-assisted log P determination and in vitro BBB permeability studies performed in order to assess the potential of the synthesized compounds to pass the BBB.

Lipophilicity expressed by the n-octanol/water partition coefficient, logPo/w, is one of the physicochemical properties of the drug that determines its solubility, the ability to penetrate through cell barriers, and the probability of transport to the molecular target. It also affects pharmacokinetic processes such as adsorption, distribution, metabolism and excretion of a drug. The aim of this study was to evaluate the influence of substitution with different functional groups of biologically active N-aryl-tetrahydroisoquinoline derivatives (THIQs) on the logPo/w. The logPo/w for a set of six N-aryl-tetrahydroisoquinoline derivatives was estimated using reversed-phase ultra performance liquid chromatography (RP-UPLC) technique using a C18 column as a stationary phase and water/acetonitrile mixtures as mobile phases.

The aim of this study was to test the potential of Cu-based MOF for removing chlorpyrifos. The effect of ethanol concentration on removal potential was evaluated by testing the MOF’s performance in 100% and 25% ethanolic solutions. Additionally, the effects of MOF concentration and chlorpyrifos concentration were assessed. The results indicated that the selected MOF, [{Cu4(μ3-Hbes)4(μ-hba)}K(H2O)3]n, shows promising potential for application in water remediation.