The antileukemia cancer activity of organic compounds analogous to ellipticine representes a critical endpoint in the understanding of this dramatic disease. A molecular modeling simulation on a dataset of 23 compounds, all of which comply with Lipinski’s rules and have a structure analogous to ellipticine, was performed using the quantitative structure activity relationship (QSAR) technique, followed by a detailed docking study on three different proteins significantly involved in this disease (PDB IDs: SYK, PI3K and BTK). As a result, a model with only four descriptors (HOMO, softness, AC1RABAMBID, and TS1KFABMID) was found to be robust enough for prediction of the antileukemia activity of the compounds studied in this work, with an R² of 0.899 and Q² of 0.730. A favorable interaction between the compounds and their target proteins was found in all cases; in particular, compounds 9 and 22 showed high activity and binding free energy values of around −10 kcal/mol. Theses compounds were evaluated in detail based on their molecular structure, and some modifications are suggested herein to enhance their biological activity. In particular, compounds 22_1, 22_2, 9_1, and 9_2 are indicated as possible new, potent ellipticine derivatives to be synthesized and biologically tested.

The use of environmentally friendly deep eutectic solvents (DES) in green synthesis of different types of nanoparticles has garnered increasing interest in recent years. The application of these materials in water treatment, mainly by adsorption or degradation, is emerging as a sustainable alternative to conventional methodologies. However, the information about the green synthesis of nanoparticles (NPs) using DES is dispersed in the literature. This review is focused on compiling and systematizing information regarding DES-mediated NP synthesis, the application of these NPs in water treatment, and future perspectives of these technologies. DES represent an excellent alternative to traditional solvents in NP synthesis due to their low toxicity, low cost, and being environmentally friendly. The possible NP surface functionalization with DES is also attractive as it plays a pivotal role in processes related to water treatment. Modification and synthesis of carbon nanotubes, graphene oxides, magnetic iron oxides, among others, for the adsorption and degradation of organic dyes, pharmaceuticals, metal ions, herbicides, pesticides, and other water contaminants found in recent literature are presented in this work. Finally, the possibility to control NP size and shape can be helpful in the design of new materials for a specific application.