Valorization of two biological materials in the treatment of tannery effluents by filtration

The present study aims at the valorization of two natural materials such as marine sand and wood sawdust in the treatment of tannery effluents taken directly from an industrial unit located in the Dokkarat, district of Fez. The technique used is that of column filtration. Physicochemical characterization such as COD,,  Cr, etc. as well as microbiological analysis such as total germs (TG), Total Coliforms (TC), Faecal Coliforms (FC), etc. of the effluent, before and after filtration by the two supports used, were performed. The two filtering materials were previously characterized by DRX, IR-FTIR and SEM-EDX. The results obtained show that the latter two are effective in the treatment of the effluent, especially with the wood sawdust filter. Indeed, the removal rate (RR) of COD,, SS, EC,  and Cr is in the order of 90.79%, 86.04%, 83.3%, 80%, 96.7% and 84.07% for the sawdust filter, while for the marine sand filter these values are of 81.5%, 79.9%, 79.2%, 66.6%, 94.4% and 56.15%, respectively

In silico evaluation of antiviral activity of flavone derivatives and commercial drugs against SARS-CoV-2 main protease (3CLpro).

In this paper the in silco evaluation of the antiviaral activity against the current spread of severe acute respiratory syndrome novel coronavirus 2 (SARS-CoV-2) of several anti-viral components such as Chloroquine, Simeprevir, Lopinavir and a series of five natural and synthesized flavone derivative was investigated.Results of the molecular docking revealed that among of the five flavones studied and Chloroquine, Simeprevir and Lopinavir, three compounds correlate with a high affinity for the same binding sites with the major protein 3-chymotrypsin-like protease (3CLpro) and a small negative binding energy compared with the control N3 molecule in protein 6LU7 and the control WK1 molecule in protein 2OP9. This may disrupt the 3CLpro main protease function and efficiency

Insights of Auric Ion Adsorption in the Presence of Ferric and Hexavalent Chromium Species on Mg/Al Layered Double Hydroxides

This study reports the synthesis of Mg/Al layered double hydroxide (LDH) by the co-precipitation technique. The produced LDH was then employed as an adsorbent for auric ion (AuCl4-) in the presence of ferric (Fe3+) and dichromate (Cr2O72-) species in an aqueous solution. An adsorption test examined the effects of single and ternary (Au/Fe/Cr) system solutions. The adsorbent underwent characterization by the utilization of FT-IR (Fourier transform infrared spectroscopy), powder XRD (X-ray diffraction), and FE-SEM (Field emission scanning electron microscopy) techniques. The experimental results revealed that the adsorption of AuCl4- without any competing species reached its maximum efficiency at a solution acidity of pH 3. The results of the kinetic investigation indicate that the adsorbent exhibited behavior consistent with a pseudo-second-order reaction. The rate constant (k) values obtained were 2.88 x 10-3 and 3.51 x 10-3 g/(mg.min) for the single and ternary solutions. Based on the Langmuir isotherm model, the adsorption capacities for single and ternary solutions were determined to be 21.75 mg g-1 and 27.78 mg g-1, respectively. The adsorbent exhibited a layered structure characterized by hexagonal platelet-type images

Deciphering the SARS-CoV-2 Delta Variant: Antiviral Compound Efficacy by Molecular Docking, ADMET, and Dynamics Studies

This research was conducted to discover potential antiviral compounds effective against the Delta variant of SARS-CoV-2 through computational screening methods. Our investigation encompassed nine established antiviral medications—Ritonavir, Remdesivir, Lopinavir, Ivermectin, Favipiravir, Ribavirin, Clofoctol, Chlorpromazine, and Artemisinin—and a flavone derivative, 2-(4-((6-hydroxyhexyl)oxy)phenyl)-4H-chroman-4-one (4c). These compounds were evaluated for their binding affinity to the Delta variant’s spike protein and their stability within the complex. We also examined their ADMET profiles and pharmacokinetic properties. he study found that all compounds exhibited strong binding to key amino acid residues within the spike protein’s active site, potentially inhibiting the enzyme’s function. Binding energy values ranged from -3.966 to -6.392 kcal/mol for the for the known drugs, with the flavone derivative exhibiting the highest binding affinity of -7.895 kcal/mol and an optimal ADMET profile. Molecular dynamics simulations further confirmed the stability of the 4c-spike protein complex. Our results indicate that the flavone derivative 4c is a promising lead for the development of novel antiviral therapies targeting the Delta variant of SARS-CoV-2

Potential inhibition of ALDH by argan oil compounds, computational approach by docking, ADMET and molecular dynamics

Actuellement, les choix pour traiter l'alcoolisme sont limités, le disulfirame étant la principale option, malgré son lien notable avec les effets indésirables (Chick et al., 1992 ; Ho et al., 2007 ; Hughes et Cook, 1997 ; Kleczkowska et al., 2021) . Ainsi, l'objectif principal de cette étude est d'explorer des voies de traitement alternatives. Pour atteindre cet objectif, nous avons examiné l'impact de l'huile d'argan et de composés spécifiques, reconnus pour leur présence importante dans l'huile, sur le métabolisme de l'alcool. Cette exploration impliquait d'évaluer l'affinité et la stabilité de ces molécules avec l'ALDH, une enzyme cruciale dans le métabolisme de l'alcool, en utilisant des outils informatiques tels que "AutoDock Vina, ( Morris et al., 2008) ", "Desmond" et des logiciels similaires (Daina et al. , 2017 ; Pires et al., 2015) et en examinant l'influence de l'huile d'argan sur les changements temporels du taux d'alcoolémie en utilisant un kit de mesure du taux d'alcoolémie. Les résultats des deux segments étaient encourageants, car l'affinité collective des molécules avec l'ALDH dépassait celle de la molécule de référence « disulfirame ». Notamment, l'alpha-tocophérol et le spinastérol ont présenté une stabilité supérieure. En phase pratique, l'huile d'argan, associée à ces molécules, a réduit significativement le taux d'alcoolémie par rapport au groupe témoin. Il reste encore à accomplir une utilisation plus complète de ces résultats pour mieux comprendre les mécanismes qui sous-tendent les effets positifs du pétrole. Cela pourrait normalement ouvrir la voie à de futures recherches visant à explorer l'huile comme traitement viable contre l'alcoolisme

In Silico Investigation of Aristolochia longa Anticancer Potential against the Epidermal Growth Factor Receptor (EGFR) in the Tyrosine Kinase Domain

This study employed in silico methods to identify potential therapeutic targets for the inactive EGFR tyrosine kinase domain in complex with Erlotinib (PDB: 4HJO) which is known to cause cancer, using natural extracts from Aristolochia longa root. A library comprising five natural compounds (Luteolin, 4-hydroxycinnamic acid, Kaempferol, ferulic acid, citric acid, and quinic acid) and the standard Erlotinib (control) were subjected to Lipinski's rule of five, ADMET parameter analyses, molecular docking and molecular dynamics simulation. Results revealed comparable pharmacological responses between the five compounds and the standard drug, demonstrating promising outcomes without limitations. Notably, Luteolin, Kaempferol, and quinic acid exhibited higher binding energies than the reference molecule, with binding affinities of -9.083 kcal/mol, -8.260 kcal/mol, and -5.857 kcal/mol, respectively. Molecular dynamics simulations confirmed the stability of the most effective EGFR protein-ligand, displaying consistent interaction profiles, favorable molecular properties, and a stable trajectory (RMSD, RMSF). Overall, these in silico analyses highlight the potential of aromatic and medicinal plant-derived compounds to inhibit EGFR protein associated with cancer development, emphasizing the need for further in vitro and in vivo investigations to explore their therapeutic applications in cancer patients

Relationship between cultivation mode of white rot fungi and their efficiency for olive oil mill wastewaters treatment

Four white rot fungi (WRF) strains, Phanerochaete chrysosporium , Trametes versicolor , Coriolopsis polyzona and Pycnoporus coccineus , were tested for efficiency of treatment of Olive Oil mill wastewaters (OOMW) in relation with their cultivation mode, i.e. under the form of free mycelium, mycelium immobilized in alginate beads and solid state cultivation on Petri dishes. Study of biodegradation of phenolic compounds, chemical oxygen demand (COD) decrease and decolourisation of OOMW have shown that Coriolopsis polyzona and Pycnoporus coccineus degradation performances were apparently only slightly affected by the cell cultivation procedures experienced here. In contrast, Phanerochaete chrysosporium and Trametes versicolor showed respectively marked preferences for solid state and alginate immobilisation procedures. Both mono and polyphenolics were reduced to different extent during incubation depending on the strain, as shown by gel filtration analysis. Final pH obtained after fungal treatment of the OOMW based medium (initial pH of 5.0) was measured in order to evaluate the possibility of releasing friendly the treated wastewater in the environment. Laboratory studies as reported here may be useful for orienting the choice of a strain for treating pollution by OOMW in a particular real situation

Identification of the quality of surface waters in the city of Fez by the SEQ-GIS approach and analysis of variance

In Morocco, water resource conservation has become a priority, due to the diversity of potential sources of its pollution.To date, the city of Fez is experiencing dynamic industrial, artisanal and large farming with extensive use of toxic chemicals, part of which is carried by the water nearby in oueds or infiltrated by the soil into groundwater. This threatens ominously and alarming environmental and man.The objective of this study is, firstly, to identify the most polluted areas near polluting industries estimated the city of Fez, and secondly, know their impact on the quality of surface waters in the city of Fez. For this, we performed a thorough diagnosis of the activities of all industrial areas of the city to determine the points of water samples to identify their quality. Next, we performed a spatiotemporal monitoring of the quality of these waters for 3 months of 2017 by the SEQ-GIS approach and statistical analysis of variance (ANOVA). The diagnostic results show that the city of Fez consists of five main business areas of variables and different activities: Ain Nokbi, Sidi Boujida, Dokkarat, Bensouda and Sidi Brahim.Oueds through the raised areas are respectively Oued Tghat, Oued Zhoun, Oued Fez upstream Oued Ain Smen and Oued Lmahraz and are characterized by strong organic fillers, mineral, metal and fecal contamination.The most polluted oueds are located in the oued downstream Fez (Tghat and Zhoun) mainly to industrial districts Ain Nokbi (S1) and Sidi Boujida (S2). The evaluation of their quality by coupling techniques Evaluation Systems Quality (SEQ) and Geographical Information (GIS) and ANOVA statistical analysis reveals that they are of very poor quality