Sistema Regional de Información
en línea para Revistas Científicas de América Latina,
el Caribe, España y Portugal

The goal of this paper was determining the physical and chemical properties of some medicinal plants which are used against the Omicron Variant (Covid-19 variant B.1.1.529) symptoms. In this work, seven medicinal species for the most frequently symptoms of Omicron disease such as fever, cough, sore throat, shortness of breath, anorexia, muscle-joint pain, headache and Nausea-vomiting based on the fidelity level index has been accomplished. Positive stranded RNA viruses, coronaviruses (CoVs), can infect humans and multiple species of animals through enteric, respiratory, and central nervous system diseases with attractive targets for designing anti- Omicron conjunction. In this work, it has been investigated the compounds of thymol, gingerol, salvinorina A, cynnamil, curcumin, pulegone and rosmarinic acid as a probable anti pandemic Omicron receptor derived from medicinal plants and herbs of thyme, ginger , salvia divinorum, cinnamon leaves, curcuma longa (turmeric) , mentha pulegium (pennyroyal) and rosemary, respectively. Anti-Omicron through the hydrogen bonding using the physicochemical properties including heat of formation, Gibbs free energy, electronic energy, charge distribution of active parts in the hydrogen bonding, NMR estimation of medicinal ingredients jointed to the database amino acids fragment of Tyr-Met-His as the selective zone of the Omicron, positive frequency and intensity of different normal modes of these structures have been evaluated. The theoretical calculations were done at various levels of theory to gain the more accurate equilibrium geometrical results, and IR spectral data for each of the complex proposed drugs of N-terminal or O-terminal auto-cleavage substrate were individually determined to elucidate the structural flexibility and substrate binding of seven medicinal plants jointed to active site of Omicron molecule. A comparison of these structures with two configurations provides new insights for the design of substrate-based anti-targeting Omicron. This indicates a feasible model for designing wide-spectrum of anti- Omicron drugs. The structure-based optimization of these structures has yielded two more efficacious lead compounds, N and O atoms through forming the hydrogen bonding (H-bonding) with potent anti- Omicron Variant (Covid-19 variant B.1.1.529) .  

Fungal polysaccharides possess an important bioactive potential, including antioxidant and anticarcinogenic activity. The aim of this work was to determine the antioxidant activity and cytotoxicity against tumour and non-tumour cell lines acidic polysaccharides (NAAPs) of the fungus Nothophellinus andinopatagonicus. The effect of NAAPs on tumour cells lines was evaluated by MTT assay and flow cytometry. The analyses determined that glucose was the most abundant monomer and IR spectrum showed the typical peaks of β-glucans in the NAAPs. The cell viability assays revealed significant activity of NAAPs against HL-60, HCT-116 and MCF-7 tumour cell lines (IC50 = 767,16 µg mL-1, 1256 µg mL-1 and 4241,7 µg mL-1, respectively); but a much lower cytotoxicity against the non-tumour cell line HGF-1 (outside the range of the highest concentration tested (>10 mg mL-1)). NAAPs affected the cell cycle of HL-60 tumour cells, increasing the percentage of cells in the sub G1 phase and reducing it in the S/G2/M phases. Moreover, low concentrations of NAAPs also showed an effective cytotoxic activity against tumour cell lines while the non-tumour cell line was unaffected, maintaining a viability close to 100%. The antioxidant activity of the highest NAAPs concentration tested was 6.24% and 4.63%, for DPPH and ABTS method, respectively.  

ABSTRACT Herbicides are one of the most widely used agrochemical classes around the world. They help farmers to protect their crops against weeds. However, they can move through the soil profile polluting water resources and adversely affect human health. Groundwater is an important source for the production of drinking water in many places of the world and the presence of pesticide residues in groundwater is a serious threat to the health of consumers of drinking water. In this work, the behavior of two herbicides Atrazine and Trifluralin were study in an agricultural soil: Alhue soil and this soil modified whit clay (Kaolinite) and organic matter (Humus). The original soil and modified soil samples were characterized by their physicochemical properties: pH, EC, OC and texture. The analytical method was optimized for the quantification of Atrazine and Trifluralin by High Performance Liquid Chromatography (HPLC). The contact time, adsorption/desorption isotherms, persistence of both compounds in the soil samples and modified soil samples with clay and/or organic matter was studied.       In general, all sorption curves for Trizine and Trifuralin in the modified soil samples were similar with relatively low adsorption for Trifuralin indicating that the soil modifications were not significant. The kinetic of sorption process was described by Elovich model         Both herbicides present a low Koc value, however, they present different types of adsorption, being for Atrazine a moderate adsorption and for Trifluralin a weak adsorption, which implies that both herbicides could be distributed in bodies of water as they are not fixed by organic matter. However, it should be noted that Atrazine presents higher Koc values ​​than Trifluralin in all soil samples, which could mean that Atrazine would be less bioavailable than Trifluralin. Values ​​obtained in the Pearson correlation of CO (%) and % of clay are expected since, when observing the results obtained in the Kd parameters for soils modified by both herbicides, they show that the higher the % of the physicochemical parameter, the higher the adsorption of the compound by the soil. The persistence of the pesticides showed that with both the addition of Kaolinite and Humus to the soil increases the half-life time for both herbicides. The results of the GUS index showed that both Atrazine and Trifluralin would be classified as leachable compounds in all soil samples    

Conjugated fatty acids (CFAs) mainly consists of Conjugated linoleic acids (CLAs) and conjugated linolenic acids (CLNAs). CFAs received significant importance because of their anti-carcinogenic, anti-obesity, anti-diabetic, lipid/ energy metabolism modulatory effects and some other health promoting properties. Though, their concentration in food stuff is inadequate for any therapeutic application to be implemented. For a biotechnological perspective, microbial production of these CFAs has been extensively explored as an alternative and various bacterial strains of Propionbacterium, Lactobacillus and Bifidobacterium have shown promising results. This review will amass and recap available data concerning CLA and CLNA production by various bacterial strains via various enzymatic reaction behind all the processes. Numerous studies on CFA biochemical pathways are important to understand and discourse the metabolic mechanisms behind this process showing all the gene products that could be involved in the production. Among these bacterial strains few have shown the modulation of lipid metabolism in-vivo, further research should be focused on this topic which would help us to understand the role of gut microbiota on human health and future foods sustainability.  

Mn3O4 were synthesized via the hydrothermal method at 200°C for 24 h, using surfactants. The resultant products were examined by powder X-ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), transmission electronic microscope (TEM), UV-visible spectroscopy and BET surface area analysis. The as-prepared materials were used for the adsorption of methylene blue dye (MB). The effect of various experimental parameters (initial concentration, adsorbent dose and temperature) and optimal experimental conditions were ascertained by response surface methodology using Doehlert model. Finally, the antibacterial activity of Mn3O4 nanoparticles was tested.

Towards to recognize a strong inhibitor we accomplished docking studies on the major virus protease with 4 natural product species as anti Covid-19(SARS-CoV-2), namely “Vidarabine”, “Cytarabine”, “Gemcitabine” and “Matrine” from which are extractive from Gillan’s leaves plants. These are known as Chuchaq, Trshvash, Cote-Couto and Khlvash in Iran.  Among these four studied compounds, Cytarabine appear as suitable compound with high effectiveness inhibitors to this protease. With docking simulation and NMR investigation we demonstrated, these compounds exhibit a suitable binding energy around 9 Kcal/mol with various ligand proteins modes in the binding to COVID-19 viruses. However, these data need further in both, vivo & vitro evaluation for repurposing these drugs against COVID-19 viruses.

SARS-CoV-2 is the pandemic disease-causing agent COVID-19 with high infection rates. Despite the progress made in vaccine development, there is an urgent need for the identification of antiviral compounds that can tackle better the different phases of SARS-CoV-2. The main protease (Mpro or 3CLpro) of SARS-CoV-2 has a crucial role in viral replication and transcription. In this study, an in silico method was executed to elucidate the inhibitory potential of the synthesized 6-tert-octyl and 6-8-ditert-butyl coumarin compounds against the major protease of SARS-CoV-2 by comprehensive molecular docking and density functional theory (DFT), ADMET properties and molecular dynamics simulation approaches. Both compounds shown favorable interactions with the 3CLpro of the virus. From DFT calculations, HOMO-LUMO values and global descriptors indicated promising results for these compounds. Furthermore, molecular dynamics studies revealed that these ligand-receptor complexes remain stable during simulations and both compounds showed considerably high binding affinity to the main SARS-CoV-2 protease. The results of the study suggest that the coumarin compounds 6-tert-octyl and 6-8-ditert-butyl could be considered as promising scaffolds for the development of potential COVID-19 inhibitors after further studies.

The synthesis of nanoparticles from plant extracts has become an interesting line of research in recent years. The purpose of the study was the synthesis of silver nanoparticles (NSP) from silver nitrate, aqueous and ethanol 80% extracts obtained by ultrasound-assisted extraction, as well as fractions of chloroform, ethyl acetate and water, of flower petals and leafs of Hibiscus rosa-sinensis L. The ethanolic extract of petals of H. rosa-sinensis L. was analyzed by UHPLC-ESI-Q-Orbitrap-MS/MS identifying pelargonidin, petunidin, kaempferol, luteolin and orientin. Characterization of NSP by UV-Visible spectrophotometry gave a lmax at 400,631 nm and 389,411 nm for NSP obtained with ethanolic extract of flower petals and leafs, lmax at 402,270 nm and 391,057 nm for NSP of aqueous extracts of flower petals and leafs respectively. FTIR confirmed the reduction of Ag+ ions to Ag0 ions in NSP. Dynamic light dispersion (DLS) showed an effective diameter of the NSP from extracts, less than 80 nm and for NSP from fractions was less at 53 nm and near-zero polydispersity indices. Electron field emission scanning microscopy (FE-SEM) showed a particle size between 17 - 32 nm for NSP from extracts, and 15 - 26 nm for NPS from fractions, which showed a spherical structure. Energy dispersion X-ray spectroscopy (EDS) confirmed the elemental composition of NSP showing mostly silver (60.44%), oxygen (32.48%) and potassium (4.97%). This study revealed that the compounds from the extracts of Hibiscus rosa-sinensis L. are good reducing and stabilizing agents for the synthesis of silver nanoparticles, being pH 9 optimal for synthesis.  

Parthenium hysterophorus is an invasive plant variety found in around 50 countries. Phenolic compounds in the P. hysterophorus leaves, HPLC analysis was carried out. In addition, methanolic extract of P. hysterophorus leaves was evaluated for total phenolic content (TPC), total flavonoid content (TFC), DPPH free radical scavenging activity, and hemolytic activity. The leaves crude extract was orally administered to rabbits (n = 5) at four doses (10, 20, 40 and 80 mg kg–1) for 9 days and its effects on hematological and biochemical parameters were investigated. Statistical analysis was performed using GraphPad Prism 8.0 software. The HPLC data revealed the presence of Chlorogenic acid, Bis-HHDP-hex (pedunculagin), Morin, Ellagic acid, Rutin, Syringic acid, etc., which were detected at various retention times. Among these compounds, Ellagic acid was abundantly present with sample peak area of 9594.909 %. Total phenolic and flavonoid contents in the leaves extracts at a concentration of 80 μg were, 57.35 ± 4.12 μg GAE/μg and 39.44 ± 0.41 μg QE/μg. DPPH free radical scavenging activity was 72.82 % with IC50 value of 168 μg/μL at 80 μg of the extract. In the hemolysis assay, 200 μg of extract had highest cell inhibition of 76.90 % with IC50 >500. Significant (P<0.05) variation in the hematological and biochemical parameters was observed in the extract fed groups. It has been concluded that P. hysterophorus leaves extract had toxic effects on the hematological and biochemical parameters in rabbits which cause abnormal blood profile.

Anti-Covid19 through the hydrogen bonding using the physicochemical properties including heat of formation, Gibbs free energy, electronic energy, charge distribution of active parts in the hydrogen bonding, NMR estimation of medicinal ingredients jointed to the database amino acids fragment of Tyr-Met-His as the selective zone of the Covid19, positive frequency and intensity of different normal modes of these structures have been evaluated. The theoretical calculations were done at various levels of theory to gain the more accurate equilibrium geometrical results, and IR spectral data for each of the complex proposed drugs of N-terminal or O-terminal auto-cleavage substrate were individually determined to elucidate the structural flexibility and substrate binding of seven medicinal plants jointed to active site of Covid19 molecule. A comparison of these structures with two configurations provides new insights for the design of substrate-based anti-targeting Covid19. This indicates a feasible model for designing wide-spectrum of anti- Covid19 drugs. The structure-based optimization of these structures has yielded two more efficacious lead compounds, N and O atoms through forming the hydrogen bonding (H-bonding) with potent anti- Covid19. Finally, two medicinal ingredients of apigenine-7-glucoside and demethoxycurcumine jointed to TMH have directed to a Monte Carlo (MC) simulation. The results strongly suggest that the different data observed in the apigenine-7-glucoside and demethoxycurcumine in the solvent is principally due to basis set functions, induced by a change in polarity of the environment. It is clear that an increase in the dielectric constants enhances the stability of these anti-Covid19 drugs.