We have performed R&D project on methanol synthesis from CO2 and hydrogen in order to contribute to CO2 mitigation. High-performance Cu/ZnO based multicomponent catalysts were developed. The roles of metal oxides contained in Cu/ZnO-based catalysts were classified into two categories: (1) Al2O3 or ZrO2 improves the dispersion of copper particles in the catalyst; (2) Ga2O3 or Cr2O3 increases the activity per unit copper surface area of the catalyst. The long-term stability of Cu/ZnO-based catalysts during methanol synthesis from CO2 and hydrogen was improved by adding a small amount of silica to the catalysts. Silica added to the catalysts suppressed the crystallization of ZnO contained in the catalysts. The catalysts were found to be highly active and extremely stable in methanol synthesis from CO2 and hydrogen. In the next step, a bench plant with a capacity of 50 kg day−1 of CH3OH, which was equipped with facilities for recycling unreacted gases and gaseous products, was successfully operated. The purity of crude methanol produced was 99.9 wt%, whereas the purity of crude methanol produced from syngas in a present-day commercial plant was reported as 99.6 wt%

Oncogenic Kirsten RAt Sarcoma (KRAS) mutations are attractive targets in non-small cell lung cancer (NSCLC). Thus, the objective of this work is to discover promising inhibitors that target this protein using in silico methods that have become increasingly cost-effective in research and development of drugs. In this study, 24 triterpenoid saponins were selected for designing the potent inhibitors by using different methods: Quantitative Structure Activity Relationships (QSAR) analysis, homology modeling, as well as molecular docking, molecular dynamics (MD) simulation and in silico Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Screening. The selected model was presented high squared cross-validation coefficient Q²=0.85, and external validation R²pred =0.75. In addition, the best Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) models presented high values of Q² = 0.77 and 0.784 and values of R²pred =0.87 and 0.83, respectively. After that, homology modeling was carried out for modeling the selected target, and then validated by both Ramachandran plot and Qualitative Model Energy ANalysis (QMEAN) score of 0.83, indicating the best accuracy of the modeled protein with the experimental results. Furthermore, molecular docking study was conducted to better understanding the binding mechanism of homologous protein with triterpenoid saponins. In addition, Molecular Dynamics simulations confirmed the stability of the selected complex systems during 10000 femtosecondes (fs). According to these studies, three molecules were picked out as potential inhibitors. Indeed, the oral bioavailability and the toxicity of the predicted triterpenoid saponins have been found respecting the Absorption, Distribution, Metabolism, Excretion, and Toxicity properties.

Haloxylon scoparium is a plant widely used in traditional medicine for the treatment of diabetes. Hence, this study focuses on the mineralogical and chemical composition and evaluation of the antidiabetic and antioxidant activities of the aerial part of this species. The mineralogical analysis was done by inductively coupled plasma atomic emission spectrometry (ICP-AES). The phytochemical study consisted in the preparation of different extracts from the aerial part by aqueous and organic extraction using Soxhlet and cold maceration. Then, phytochemical screening was performed on the plant powder and on the extracts, which is completed by spectrophotometric quantification of total polyphenols, flavonoids, and catechic tannins. The evaluation of antidiabetic activity was done by three enzymes: a-amylase, a-glucosidase, and ß-galactosidase, and that of antioxidant activity was done by five methods: H₂O₂, DPPH, ABTS, FRAP, and reducing power (RP). Mineralogical analysis revealed the presence of iron, potassium, magnesium, phosphorus, sodium, copper, calcium, strontium, selenium, and zinc. The studied part is rich in alkaloids, flavonoids, catechic tannins, and saponins. The methanolic extract is rich in total polyphenols (161.65±1.52Ug EAG/mg E), and the ethyl acetate extract has high levels of catechic tannins (23.69±0.6Ug EC/mg E). In addition, the decoctate expresses a high flavonoid content of 306.59±4.35Ug EQ/mg E. The in vitro evaluation of the antidiabetic activity showed that the decoctate has a higher inhibitory capacity on a-glucosidase (IC50=181.7±21.15ug/mL) than acarbose (IC50=195±6.12ug/mL). The results of the antioxidant activity showed that the methanolic extract and the decoctate present a percentage of hydrogen peroxide (H₂O₂) scavenging (20.91±0.27 and 16.21±0.39) higher than that of ascorbic acid (14.35±0.002). Positive correlations obtained between the total polyphenol content and the antioxidant activity of the extracts were studied. A positive correlation of a-amylase inhibitory activity was also recorded with the antioxidant activity tests.