Neoechinulin A as a Promising SARS-CoV-2 Mpro Inhibitor: In Vitro and In Silico Study Showing the Ability of Simulations in Discerning Active from Inactive Enzyme Inhibitors

The COVID-19 pandemic and its continuing emerging variants emphasize the need to discover appropriate treatment, where vaccines alone have failed to show complete protection against the new variants of the virus. Therefore, treatment of the infected cases is critical. This paper discusses the bio-guided isolation of three indole diketopiperazine alkaloids, neoechinulin A (1), echinulin (2), and eurocristatine (3), from the Red Sea-derived Aspergillus fumigatus MR2012. Neoechinulin A (1) exhibited a potent inhibitory effect against SARS-CoV-2 M^pro with IC₅₀ value of 0.47 μM, which is comparable to the reference standard GC376. Despite the structural similarity between the three compounds, only 1 showed a promising effect. The mechanism of inhibition is discussed in light of a series of extensive molecular docking, classical and steered molecular dynamics simulation experiments. This paper sheds light on indole diketopiperazine alkaloids as a potential structural motif against SARS-CoV-2 M^pro. Additionally, it highlights the potential of different molecular docking and molecular dynamics simulation approaches in the discrimination between active and inactive structurally related M^pro inhibitors.     

Effect of Arbuscular Mycorrhizal Fungi and Phosphate-Solubilizing Bacteria Consortia Associated with Phospho-Compost on Phosphorus Solubilization and Growth of Tomato Seedlings (Solanum lycopersicum L.)

ABSTRACT

The exploitation of phosphate mines generates an important quantity of phosphate sludge that remains accumulated and not valorized. In this context, composting with organic matter and rhizospheric microorganisms offers an interesting alternative and that is more sustainable for agriculture. This work aims to investigate the synergetic effect of arbuscular mycorrhizal fungi (AMF), phosphate-solubilizing bacteria (PSB) and phospho-compost (PC), produced from phosphate-laundered sludge and organic wastes, and their combination on plant growth, phosphorus solubilization and phosphatase activities (alkaline and acid). Inoculated mycorrhizae and bacteria strains used in this study were selected from plant rhizosphere grown on phosphate-laundered sludge. Significant (p < .05) increases in plant growth was observed when inoculated with both consortia and PC (PC+ PSB+ AMF) similar to those recorded in plants amended with chemical fertilizer. Tripartite inoculated tomato had a significantly (p < .05) higher shoot height; shoot and root dry weight, root colonization and available P content, than the control. Co-inoculation with PC and AMF greatly increased alkaline phosphatase activity and the rate of mycorrhizal intensity. We conclude that PC and endophytic AMF and PSB consortia contribute to a tripartite inoculation in tomato seedlings and are coordinately involved in plant growth and phosphorus solubilization. These results open up promising prospects for using formulate phospho-compost enriched with phosphorus-solubilizing microorganisms (PSM) in crop cultivation as biofertilizers to solve problems of phosphate-laundered sludge accumulation.     

Global Bibliometric Analysis of the Research in Biochar

Global interest in studying biochar stems from its ability to sequester carbon in soil and render nutrients and moisture more readily available to root systems. Therefore, a bibliometric analysis was conducted to investigate global scientific publications related to biochar research, providing insight into the number of articles published, journal platforms, subjects, citations, and overall trends. The primary databases employed were the Web of Science and Science Citation Index. A total of 1,697 articles published between 2000 and 2015 were evaluated. This systematic bibliometric analysis will assist research groups and individuals to understand global biochar research trends and focus future research. The influence of biochar on soil, plants, and the environment continues to require greater attention.     

Studying the Effects of Two Various Methods of Composting on the Degradation Levels of Polycyclic Aromatic Hydrocarbons (PAHs) in Sewage Sludge

The research comprised of studying the effect composting sewage sludge with sawdust and vermicomposting with earthworm Eisenia fetida has on the degradation of 16 polycyclic aromatic hydrocarbons (PAHs). Raw rural sewage sludge prior composting was more contaminated with PAHs than urban sewage sludge, in both cases exceeding EU cutoff limits of 6 mg/kg established for land application. Dibenzo[a,h]anthracene (DBahAnt), acenaphtylene (Acy) and indeno[1,2,3-c,d]pyrene (IPyr) were predominant in rural sewage sludge, whilst the urban sewage sludge contained the highest concentrations of benzo[b]fluoranthene (BbFl), benzo[k]fluoranthene (BkFl) and indeno[1,2,3-c,d]pyrene (IPyr). Thirty days of composting with sawdust has caused a significant reduction of 16 PAHs on average from 26.07 to 4.01 mg/kg (84.6%). During vermicomposting, total PAH concentration decreased on average from 15.5 to 2.37 mg/kg (84.7%). Vermicomposting caused full degradation of hydrocarbons containing 2 and 6 rings and significant reduction of PAHs with 3 aromatic rings (94.4%) as well as with 5 aromatic rings (83.2%). The lowest rate of degradation (64.4%) was observed for hydrocarbons with 4 aromatic rings such as fluoranthene, benzo(a)anthracene, chrysene and pyrene. On the other hand, the highest level of degradation was determined for PAHs with 2 rings (100%), 3 rings (88%) and 6 aromatic rings in the molecule (86.9%) after composting with sawdust. Acenaphthene and pyrene were found to be the most resistant to biodegradation during both composting methods.     

Current status and future strategy in breeding grasspea (Lathyrus sativus)

Efforts in grasspea (Lathyrus sativus) improvement have increased since the development of lines that are very low in the neurotoxin Beta-N-oxalyl-L-alpha-beta-diamino propionic acid (ODAP); also referred to as Beta-N oxalyl-amino-L-alanine (BOAA). Many programs now address several related aspects of improvement simultaneously. These include reduced ODAP concentrations, insect and disease resistance, nitrogen fixation, agronomic practices, fodder and forage production, and components for increased yielding ability. The coordinated, multidisciplinary approach now being applied to the genetic improvement of grasspea should allow the potential of this largely neglected grain legume to be fully realized.     

Fruit and seed diversity of domesticated carob (Ceratonia siliqua L.) in Morocco

The carob tree (Ceratonia siliqua L.) is an important economic resource for Morocco's rural populations. This species is used in reforestation actions and its cultivation in modern orchards is being undertaken to valorize marginal lands and substitute for drought sensitive species. However, little data is available on its intra-specific variability and its adaptability. Morphological characters of pods and seeds from 13 ecoregions of private-domesticated carob were used to assess phenotypic variation of this species. These stands extend from south-west to north-east and cover a wide range of Morocco's ecoregions. Pods length, width, thickness, seeds number, pulp weight, seeds yield and seeds length, width, thickness and weight were measured for 390 trees (30 trees per ecoregion). Statistically significant differences were found between ecoregions for all characters which were examined, what indicates a high phenotypic diversity. Principal component analysis (PCA) and hierarchical cluster of all ecoregions lead to identify two major and opposite groups (the northern ecoregions; and the central and south-western ecoregions). Ecoregions of the north of Morocco exhibited the largest and the thickest pods with the highest pulp weight while other ecoregions have relatively short pods but largest proportion of seed yield. Similarly, the northern ecoregions are characterized by the heaviest seeds. A correlation matrix between morphological characters, geographic parameters and precipitation exhibits a positive and a negative correlation of pods thickness and pulp weight with the latitude and the altitude, respectively. Seed yield and weight are negatively and positively correlated to pod width, pod thickness and pulp weight, respectively. In addition, seed weight is positively correlated with the latitude. The geographic pattern of the carob tree and its variability are discussed in this paper.     

黄瓜游离小孢子培养诱导成胚和植株再生

 以10个不同基因型黄瓜为试材进行游离小孢子培养,通过对成胚条件的系统研究,从‘7447’和‘Poinsett97’中获得了子叶形胚和再生植株。研究结果表明：基因型和小孢子发育时期是限制黄瓜游离小孢子成胚的关键因子。不同品种间胚状体产量差异显著,每皿产胚1.5～33.4个。单核靠边期是进行黄瓜游离小孢子培养的最佳时期。低温预处理有利于胚状体的诱导,4 ℃预处理2～4 d为宜,以处理2 d时胚状体产量最高。外源激素在诱导胚状体时并非必需,但低浓度的外源激素（0.5 mg·L^-1 2,4－D、0.2 mg·L^-1 6－BA）更能促进小孢子成胚。NLN和B5两种基础培养基在诱导胚状体上无显著差异。子叶形胚易分化成苗,而其它类型的胚状体不能获得再生植株。     

Optimizing supplemental irrigation: Tradeoffs between profitability and sustainability

Water production functions are used to model yield response to various levels of supplemental irrigation (SI), to assess water productivity coefficients, and to identify optimum irrigation under various input-output price scenarios. The SI production function is taken as the difference between the total water production function (irrigation + rain) and that of rainwater. Theoretical analysis of the unconstrained objective function shows that the seasonal depth of SI to maximize profit occurs when the marginal product of water equals the ratio of unit water cost to unit product sale price. Applying this analysis to wheat in northern Syria, the production functions of SI under different rainfall conditions are developed. Coupled with current and projected water costs and wheat sale prices, the functions are used to develop an easy-to-use chart for determining seasonal irrigation rates to maximize profit under a range of seasonal rainfall amounts.Results show that, for a given seasonal rainfall, there is a critical value for the ratio of irrigation cost to production price beyond which SI becomes less profitable than rainfed production. Higher product prices and lower irrigation costs encourage the use of more water. Policies supporting high wheat prices and low irrigation costs encourage maximizing yields but with low water productivity. The resulting farmer practice threatens the sustainability of water resources. Balancing profitability versus sustainability is a challenge for policy makers. Our analysis can help national and local water authorities and policy makers determine appropriate policies for water valuation and allocation; and assist extension services and farmers in planning irrigation infrastructure and farm water management.     

Investigation of mechanical properties of developed antimicrobial PPsuture/Ag nanocomposite

In order to prevent surgical complications due to microbial infections, we have developed polypropylene suture grafted with silver nanoparticles (PPsuture/Ag nanocomposite) by a simple immersion procedure. Physical and mechanical properties of developed suture are investigated. Suture surface characteristics are examined by scanning electron microscopy (SEM) imaging and atomic force microscopy (AFM). Silver content on suture surface was determined by Inductively coupled plasma atomic emission spectroscopy (ICP-AES). The mechanical properties of developed antibacterial PP suture/Ag were studied. We note that proposed silver coating method has not affected mechanical performances of suture. Antimicrobial performances of PP suture/Ag nanocomposites against S. aureus and E. coli colonies were also investigated.     

Diversity of root-knot nematodes in Moroccan olive nurseries and orchards: does <Emphasis Type="Italic">Meloidogyne javanica</Emphasis> disperse according to invasion processes?

Background

Root-knot nematodes (RKN) are major pest of olive tree (Olea europaea ssp. europaea), especially in nurseries and high-density orchards. Soil samples were collected from main olive growing areas of Morocco, to characterize Meloidogyne species and to discuss the contribution of biotic and abiotic factors in their spatial distribution.

Results

RKN were found in 159 soil samples out of 305 from nurseries (52.1% occurrence) and in 11 out of 49 soil samples from orchards (23.2% occurrence). Biochemical and molecular characterisation (PAGE esterase and SCAR) revealed the dominance of M. javanica both in nurseries and orchards with minor presence of M. incognita only in nurseries, and M. arenaria in only one nursery. RKN were distributed on aggregated basis. Frequent presence of M. javanica in orchards might have come from nurseries. In contrast, the detection of M. incognita in nurseries alone suggests that this species could not reproduce in orchards because of either the competition with other plant-parasitic nematodes or unfit local habitats. The impact of environmental variables (climate, habitat origin and physicochemical characteristics of the substrates) on the distribution of Meloidogyne species is also discussed.

Conclusion

Olive nurseries in Morocco are not able to guarantee the safety of rooted plants. As a result, olive production systems are exposed to strong RKN invasion risks. Consequently, the use of healthy substrates in nurseries may prevent plant-parasitic nematode induction in orchards.