Identification of terpenoids as potential inhibitors of SARS-CoV-2 (main protease) and spike (RBD) via computer-aided drug design.

The scientific community has been faced with a major challenge in the fight against the SARS-CoV-2 virus responsible for the COVID-19 pandemic, due to the lack of targeted antiviral drugs. To address this issue, we used an in silico approach to screen 23 natural compounds from the terpenoid class for their ability to target key SARS-CoV-2 therapeutic proteins. The results revealed that several compounds showed promising interactions with SARS-CoV-2 proteins, specifically the main protease and the spike receptor binding domain. The molecular docking analysis revealed the importance of certain residues, such as GLY143, SER144, CYS145 and GLU166, in the main protease of the SARS-CoV-2 protein, which play a crucial role in interactions with the ligand. In addition, our study highlighted the importance of interactions with residues GLY496, ARG403, SER494 and ARG393 of the spike receptor-binding domain within the SARS-CoV-2 protein. ADMET and drug similarity analyses were also performed, followed by molecular dynamics and MM-GBSA calculations, to identify potential drugs could be repurposed to combat COVID-19. Indeed, the results suggest that certain terpenoid compounds of plant origin have promising potential as therapeutic targets for SARS-CoV-2. However, additional experimental studies are required to confirm their efficacy as drugs against COVID-19.Communicated by Ramaswamy H. Sarma.

Comparison of moroccan argain nut shell and olive cake combustion to determine the best combustible for CHP system and for the thermodynamic cycle.

The current research aims to valorize Moroccan agricultural waste by using it as a combustible fuel. The physicochemical properties of argan cake were determined and the results were compared with other studies of argain nut shell and olive cake. A comparison of argain nuts shell, argain cake, and olive cake was carried out in order to determine the best combustible in terms of energy, emissions and thermal efficiency cycle. The CFD modeling of their combustion was presented using Ansys fluent software, The Reynolds averaged Navier-Stokes (RANS) method is the foundation of the numerical approach, which models the turbulent flow using realizable. k-ε, A non-premixed combustion model is used for the gas phase, and a Lagrangian approach is chosen for the discrete second phase, there was a good agreement between the numerical and experimental data, as well as Wolfram Mathematica 13.1 is used to predict the mechanical work generated by the Stirling engine, and the result encourages the use of studied biomasses as combustible in order to generate heat and power.

Influence of different sludge compositions on understorey vegetation in an amended Pinus pinatser forest plantation.

The present study reports on the influence of sludge application on understory abundance and species richness in an eight year-old maritime pine forest. Four types of sludge (liquid, dewatered, limed and composted sludge) were applied at a rate equivalent to 3 tons dry weight per ha-1 per year-1. Understorey vegetation was monitored before treatment and for three successive years following initial sludge application. Species richness, the biodiversity index and naturally occurring plant community cover in maritime pine forests were measured. Results showed a significant increase in species richness two years following initial sludge application. In fact, compared to the unamended plot, eighteen additional species (Aira caryophyllea, Cerastium glomeratum, Conyza canadensis, Danthonia decumbens, Geranium robertianum, Gnaphalium sylvaticum, Hypericum humifusum, Hypericum perforatum ssp. perforatum, Jasione montana, Lonicera periclymenum ssp. periclymenum, Ornithopus compressus, Phytolacca americana, Rhamnus frangula, Teesdalia nudicaulis, Veronica arvensis, Vicia sativa angustifolia and Vulpia myuros) appeared after sludge application. Most of these species were observed with the solid limed or composted sludge treatments. The new species then declined the following year, highlighting the temporary effect of sludge treatment on species diversity. However, the cover by these eighteen new species was low and did not exceed 1%, except for Hypericum perforatum and Jasione montana for the limed sludge treatment and Vulpia myuros for the liquid sludge treatment. Additionally, sludge significantly reduces bare soil percentage, which ranged from 5 to 18% compared to the control (38%). According to sludge type, treatment also led to a significant change in species dominance of the understorey plant communities. Indeed, the cover of Molinia caerulea decreased in spite of an increase in Agrostis capillaris and/or Holcus lanatus following application of solid limed, liquid or composted sludge.

Effects of sewage sludge amendment on snail growth and trace metal transfer in the soil-plant-snail food chain.

Cu, Zn, Pb, and Cd concentrations in a soil plant (Lactuca sativa) continuum were measured after sewage sludge amendment. The effects of sewage sludge on growth and trace metal bioaccumulation in snails (Cantareus aspersus) were investigated in a laboratory experiment specifically designed to identify contamination sources (e.g., soil and leaves). Application of sewage sludge increased trace metal concentrations in topsoil. However, except Zn, metal concentrations in lettuce leaves did not reflect those in soil. Lettuce leaves were the main source of Zn, Cu, and Cd in exposed snails. Bioaccumulation of Pb suggested its immediate transfer to snails via the soil. No apparent toxic effects of trace metal accumulation were observed in snails. Moreover, snail growth was significantly stimulated at high rates of sludge application. This hormesis effect may be due to the enhanced nutritional content of lettuce leaves exposed to sewage sludge.

Sewage sludge application in a plantation: effects on trace metal transfer in soil-plant-snail continuum.

We studied the potential bioaccumulation of Cu, Zn, Pb and Cd by the snail Cantareus aspersus and evaluated the risk of leaching after application of sewage sludge to forest plantation ecosystems. Sewage sludge was applied to the soil surface at two loading rates (0, and 6 tons ha(-1) in dry matter) without incorporation into the soil so as to identify the sources of trace metal contamination in soil and plants and to evaluate effects on snail growth. The results indicated a snail mortality rate of less than 1% during the experiment, while their dry weight decreased significantly (<0.001) in all treatment modalities. Thus, snails showed no acute toxicity symptoms after soil amendment with sewage sludge over the exposure period considered. Additions of sewage sludge led to higher levels of trace metals in forest litter compared to control subplots, but similar trace metal concentrations were observed in sampling plants. Bioaccumulation study demonstrated that Zn had not accumulated in snails compared to Cu which accumulated only after 28 days of exposure to amended subplots. However, Pb and Cd contents in snails increased significantly after 14 and 28 days of exposure in both the control and amended subplots. At the last sampling date, in comparison to controls the Cd increase was higher in snails exposed to amended subplots. Thus, sludge spread therefore appears to be responsible for the observed bioaccumulation for Cu and Cd after 28days of exposure. Concerning Pb accumulation, the results from litter-soil-plant compartments suggest that soil is this metal's best transfer source.

Metal concentrations in edible mushrooms following municipal sludge application on forest land.

In the context of biosolids utilisation in forestry, effects of sludge application on mushroom metal concentration were studied in six sites of maritime pine forests in the South-West of France. Municipal sludge were applied at a rate of 6 T dry matter per hectare. Edible mushrooms were collected two years after sludge application. As, Cd, Cu, Hg, Pb, Se and Zn concentrations were determined. Results showed a high variability for trace element concentrations in mushrooms collected from control areas. No significant correlation was found between soil parameters (pH and trace elements concentrations) and mushroom trace element concentrations. Even if the concentration of trace metals increased in the soils, sludge application did not affect As, Cu, Se and Zn concentrations in carpophores but slightly increased Cd, Pb and Hg concentrations on some sites. This effect is dependent on sludge type and sites.