In the next years, improvement of human quality of life thought more efficient and environmentally safety food production will be a challenge. Within this aim, the use of pesticides will continue, but rigorous testing and severer rules will shift research to find safer alternatives. To contribute for the discovery and development of new insecticides and as a continuation of our recent research interests in biopesticides, a series of eugenol esters derivatives were synthesized and evaluated for their insecticidal activities against the Sf9 cell line. In addition, a structured-based inverted virtual screening protocol was employed to identify the potential proteins associated to the observed insecticidal activity. The encouraging results obtained allowed to establish a preliminary structure-activity relationship.

There has been a growing interest in studying and evaluating the action of botanical insecticides for pest management because of insect resistance to the traditional insecticides. Insect resistance is only one of the disadvantages of traditional insecticides; they also have adverse effects on non-target organisms, ecosystems and human health since the long-term applications result in residues accumulating in different environmental components like water, food, air and soil. As alternative, green pesticides derived from organic sources that are considered environmentally friendly and cause less harm to human and animal health can be used. One example of these sources are essential oils, a matrix of phytochemicals with efficient biopesticide action, however, their degradation when exposed to external factors, such as light and air, is a barrier to their wide use.

Nonetheless, the application of nanotechnology in encapsulation of essential oil–based insecticides derivatives can offer many advantages such as protection of their active ingredients from degradation due to external factors that can compromise their biological activity.

In the present work, alkoxy alcohols from eugenol derivatives, with different chains were synthesised. Alkoxy alcohols derivatives were then evaluated against their effect upon the viability of the insect cell line Sf9 (Spodoptera frugiperda), and nanoencapsulation studies of the most promising compound was carried out.

Among the many applications of ionic liquids (ILs) is their potential use as battery electrolytes. Ethylammonium nitrate (EAN) is a protic ionic liquid and was the first IL to be discovered. Interest in this IL has increased considerably in recent years due to its various potential applications in the fields of chemistry, electrochemistry and biology. The possible use of EAN in electronic devices is of particular interest, owing to its high electrical conductivity, good electrochemical window (even at room temperature) and high thermal stability. Although EAN could be used directly as an electrolyte, its application can be optimized by mixing the IL with a metal salt. So far, most studies have focused on the use of lithium, but its scarcity and high toxicity have led to the search for alternatives, one of which is aluminium. In addition to the thermophysical properties of ILs that make them suitable for the use for which they are being investigated, the environmental toxicity of ILs must also be investigated. Although they have been considered to cause little harm because they are non-volatile, several studies have shown that they can have toxic effects on the terrestrial environment.

In this study, the impact on basal soil respiration of EAN alone and of EAN combined with aluminium salt was investigated in order to assess whether the metal salt increases the potential toxic effects of EAN in soil. For comparative purposes, the impact of the aluminium salt on soil respiration was also studied. Two soils with similar pH and texture but with different organic matter contents were used, as it has been shown that organic matter can buffer the toxicity of both organic and inorganic pollutants. The aluminium salt did not affect soil respiration in either soil. However, the EAN-aluminium salt combination strongly affected respiration in the soil with low organic matter content, while in the soil with high organic matter content only a small reduction in the total amount of C-CO₂ emitted and a slight modification in the kinetics of respiration were observed, relative to the soil exposed to EAN.

Due to the presence of two acrylonitrile fragments, 3,5-di(α-cyanostiryl)-1,2,4-thiadiazoles prone to react under Radziszewski reaction conditions (oxidative hydrolysis of nitriles to amides) with simultaneous epoxidation and formation of epoxyamides. It is established that the reaction proceeds nonselectively,and gives a mixture of products of regioisomeric oxidation. Only in one of the cases, it was possible to isolate the product of double epoxidation. The structure of the epoxyamides products was confirmed by IR and NMR spectroscopy data.

The cumulative cytotoxic activity of 16 combined extracts aqueous &ethanol extract of Annona reticulata with Allium sativum, Allium fistolisum and Brassica oleraceae were investigated using a (3-(4, 5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay with two human cancer cell lines, MCF-7and HCT 116. A mitochondrialenzyme in living cells, succinate-dehydrogenase cleaves the tetrazolium ring and converts the MTT to an insoluble purple formazan whose intensity is directly proportional to the presence of viable cells in the microwell plate. Results showed a significant (p<0.05) cytotoxic effect of the extract in a dose dependent manner. ComparativeCytotoxicity increased with increase in the concentration of the extract used. IC50 results calculated after MTT test showed the concentration of ethanol extract of Annona reticulata with Allium sativum, Allium fistolisum and Brassica oleraceae required for 50% inhibition of the different cell lines as follows: Sample 1 shows 0.7 µg/ml, Sample 3 shows 3.0 µg/ml Sample 16 shows 0.1 µg/ml showed a significant reduction (p<0.05) in the total count of viable cells for MCF-7and HCT 116 cell lines. Analysis for cell cycle and apoptosis levels of HCT116 cells upon extracts treatment was measured by flowcytometry. Comparative results obtained indicate that there is a correlation between the combined extracts adopted in establishing the antiproliferative and cytotoxic activity of aqueous & ethanol extract of Annona reticulata with Allium sativum, Allium fistolisum and Brassica oleraceae obtained in this study.

We describe here the in silico design, synthesis and biological evaluation of four novel effective 1-(3,6-dimethyl-4-phenyl-1H-indazol-5-yl)ethan-1-one derivatives synthesized from the treatment of hydrazine hydrates in MeOH/H+ with 1,1'-(3-hydroxy-4'-methoxy-5-methyl- [1,1'-biphenyl]-2,6-diyl) bis(ethan-1-one). The structures of all new compounds were confirmed by IR, ¹H NMR, ¹³C NMR, and mass spectral analysis. The synthesized compounds are screened for their antimicrobial, antioxidant activity, the compounds 1-(3,6-dimethyl-4-phenyl-1H-indazol-5-yl)ethan-1-one (5a), 1-(4-(3,4-dimethoxyphenyl)-3,6-dimethyl-1H-indazol-5-yl)ethan-1-one (5b), and 1-(3,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1H-indazol-5-yl)ethan-1-one 5d display prominent antimicrobial, antioxidant activity. Finally, a molecular docking analysis was performed to investigate the binding mode and interactions of the most active compounds to the active site of DNA gyrase enzyme 1KZN.

Some D-glucose-conjugated 1H-1,2,3-triazoles having 4H-pyrano[2,3-d]pyrimidines had been synthesized. Click chemistry between N-propargyl-4H-pyrano[2,3-d]pyrimidines and peracetylated d-glucopyaranosyl azide was performed using CuI@Montmorillonite as a catalyst under microwave-assisted conditions. Gram-positive antibacterial activity of these 1H-1,2,3-triazoles was probed using minimum inhibitory concentration. These compounds have screened their antibacterial activity. The detailed structure-activity relationship (SAR) in vitro and in silico studies were performed.

In this research Cu(II) complex supported on Fe₃O₄@SiO₂@Pr-AIPA core–shell magnetic nanoparticles core–shell magnetic nanoparticles (MNPs) was prepared and applied for synthesis of 1,2,3-Triazole by click reaction. This compounds are one of the most important classes of N-heterocyclic compounds, have applications in pharmaceutical chemistry. Fe₃O₄@SiO₂@Pr-AIPA-Cu MNPs efficiently catalyzed a click reaction between alkyl halides, Sodium Azide, and Alkynes to synthesize corresponding products in high to excellent yields. Among heterogeneous catalysts, MNPs have seen much attention due to high surface-to-volume ratio and their easy separation. The catalyst was recovered using an external magnetic field, and recycled for subsequent reactions without substantial loss of efficiency. The catalyst was recovered using an external magnetic field, and recycled for subsequent reactions without substantial loss of efficiency.

New magnetic 4-aminobenzenesulfonic acid (PABSA)-functionalized periodic mesoporous organosilica (Fe₃O₄@PMO-ICS-Pr-PABSA) was prepared as a green and recoverable nanocatalyst. This nanocatalyst was able to efficiently catalyze synthesis of dibenzo[1,4]diazepine derivatives via one-pot three-component reactions of o-phenylenediamine, dimedone and various aldehydes at room temperature. This method have the key advantages such as simplicity of operation, high to excellent products yield and short reaction times, easy work-up, accessible catalyst and purification of products by crystallization (non-chromatographic) of this work.

The current research work deals with the design, synthesis and characterization of a series of 6-substituted-4-hydroxy-1-(2-substitutedthiazol-4-yl)quinolin-2(1H)-one derivatives [III(a-d)(1-3)] and evaluation of their in vitro anticancer activity against MDA-MB (Breast cancer) and A549 (Lung cancer) cell lines based upon MTT assay and In vitro antibacterial by the measurement of zone of inhibition and determining the Minimum Inhibitory Concentration (MIC). All the synthesized compounds were characterized by UV, IR, ¹H NMR and ¹³C NMR spectral data.

Molecular docking studies of the title compounds were carried out using Molegro Virtual Docker (MVD-2013, 6.0) software. The synthesized compounds exhibited well conserved hydrogen bond interactions with one or more amino acid residues in the active pocket of EGFRK tyrosine kinase domain (PDB ID: 1m17) for docking study on anticancer activity and S.aureus DNA Gyrase domain complexed with a ciprofloxacin inhibitor (PDB ID: 2XCT) for antibacterial docking study. All synthesized derivatives were potent against A549 (Lung cancer) cell line as compared to MDA-MB (Breast cancer) cell line. Compound 2-(4-(4-hydroxy-6-methyl-2-oxoquinolin-1(2H)-yl)thiazol-2-yl)hydrazin-1-ium iodide (IIId-2) was found to be the most cytotoxic as compared to the other synthesized derivatives, with IC₅₀ values of 346.12 μg/ml against A549 (Lung cancer) cell line, however all synthesized derivatives were found to be a poor antibacterial agent when compared with standard ciprofloxacin.

Thus, the synthesized derivatives possessed a potential to bind with some of the residues of the active site and can be further developed into potential pharmacological agents.