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Lung cancer is a major global public health issue and the leading cause of cancer-related deaths. Several medications are commonly used to treat lung cancer, either alone or in combination with other treatments. The anaplastic lymphoma kinase (ALK) protein is one of several target proteins that are thought to be potential therapeutic targets in the context of lung cancer. Several ALK inhibitors have been identified, but many of these have been associated with side effects and toxicity concerns. In this study, we intend to computationally predict the binding potential of cucurbitacins (CBNs), A and B to the active pockets of ALK, in order to estimate their potential ALK inhibitors. Compared to CBN-A, which has a binding energy of -7.9 kcal/mol, CBN B exhibits significantly better binding efficacy with a binding energy of -8.1 kcal/mol. This is closely comparable to the binding energy of Crizotinib, which is -8.2 kcal/mol. The results of the molecular dynamics simulation indicated that the docked complexes remained stable for the duration of the 100 ns simulation period. CBN inhibited the proliferation of both non-small cell lung cancer cell lines, H1299 and A549, in a dose-dependent manner. CBN-B inhibited the proliferation of lung cancer cells, showing IC50 values of 0.08 µM for H1299 cells and 0.10 µM for A549 cells. The computational analyses provide strong evidence that CBN-B has the potential to act as a potent natural inhibitor against ALK, and could prove to be a valuable treatment option for lung cancer.Communicated by Ramaswamy H. Sarma.

The main objective of this study was to investigate the hepatoprotective potency of the Pleurospermum candollei methanol extract against CCl 4 -induced liver damage in rats. HPLC technique was used to estimate the presence of polyphenols in the methanol extract of P. candollei (PCM), while proximate analysis revealed the presence of carbohydrates, lipids, and moisture in the extract. The antioxidant potential of PCM was evaluated by 2,2-diphenylpicrylhydrazyl (DPPH) and reducing power assay, which showed a high percentage of inhibition against free radicals. Hepatotoxicity was induced by carbon tetrachloride (CCl 4 ). CCl 4 administration reduced the activity of endogenous antioxidants, whereas it increased the production of nitrites and hydrogen peroxide (H 2 O 2 ) in rats. Furthermore, the level of hepatic markers in serum was also elevated after CCl 4 administration. Moreover, the expression of stress-related markers, proinflammatory mediators, and apoptotic genes was enhanced in CCl 4 -treated rats. Coadministration of PCM along with CCl 4 in rats reduced the levels of free radicals and the above genes to normal levels. CCl 4 administration caused histopathological alterations in liver tissues, while cotreatment with PCM mitigated liver injuries. These findings suggest that the methanol extract of P. candollei possesses antioxidant and anti-inflammatory properties and can prevent liver injury. Further pharmacological research will be helpful in determining the effectiveness of P. candollei in humans. Development of FDA-approved plant-based anti-inflammatory drugs can help treat patients and reduce the chances of toxicity., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

This study aims at unraveling the bacterial biodiversity of Hail soil to establish a baseline study that contributes to harnessing these bacteria in applications that benefit human beings. We collected two groups of soil samples; one group of the models contained wheat roots, and the second group was free of roots. Bacteria were isolated from these soils, DNA was extracted, 16srRNA from different isolates was amplified and sequenced, and the phylogeny tree was analyzed. The taxonomic relationship indicated that the isolates obtained were belonging to Proteobacteria, Actinobacteria, and Firmicutes. The bacteria affiliated with Proteobacteria's phylum were Stenotrophomonas, Klebsiella, Azospirillum, Calidifontimicrobium. Firmicutes include Bacillus and Actinobacteria represented by Nocardioides. The genera Bacillus, Stenotrophomonas, Calidifontimicrobium, and Nocardioides were associated with wheat's rhizosphere while the others live free in the soil. The study concluded that Hail soil is a pool of bacteria affiliated to different phyla; they share genetic traits, tolerate harsh environmental conditions that lead them to play different crucial roles in the environment, and may contribute to all aspects of human life harnessed adequately. More studies using housekeeping genes, "omics" approaches, and studies examining these isolates' ability to withstand extreme environmental conditions are recommended to view more insights about these bacteria.

Bacopa monnieri (Brahmi) is a well-known perennial, creeping herb of the Indian Ayurveda system; it contains numerous bioactive phytoconstituents implicated in the therapeutic management of several life-threatening diseases. This herb was used by Ancient Vedic scholars due to its pharmacological effect, especially as a nerve tonic and nootropic booster. However, to better understand the roles of Bacopa monnieri extract (BME) in neurological disorders and memory-related diseases, it is necessary to understand its active phytochemical constituents and their molecular mechanisms. Several clinical studies suggested that BME have neuroprotective effects, making it worth revising a notable herb. Here we investigated the contours of BME's phytochemistry and pharmacological features, focusing on neuronal disorders. We further analyzed the underlying molecular mechanisms in therapeutic intervention. Various clinical concerns and synergistic potential of BME were explored for their effective use in cognition and neuroprotection. The generation of reactive oxygen species increases neuroinflammation and neurotoxicity and is associated with Tau and amyloid-beta (Aβ) aggregation, leading to a neurological disorder. Our findings provide deeper mechanistic insights into the neuroprotective roles of BME, which can be further implicated in the therapeutic management of neurological disorders and exerting cognitive-enhancing effects., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 The Authors. Published by Elsevier Masson SAS.. All rights reserved.)

The present work is concerned with the studies of the organism causing wood decay of twigs and branches of citrus orchards, date palm Phoenix dactylifera L, and ficus trees. A survey for the occurrence of this disease in the main growing areas was achieved by the researchers. The following species of citrus orchards [lime (C. aurantifolia), sweet orange (C. sinensis), and mandarin (C. reticulate)] were surveyed, and so date palm and ficus trees. However, the results showed that the incidence of this disease was about 100%. Laboratory examinations data revealed mainly two fungal species causing the disease: Physalospora rhodina (P.rhodina)  and Diaporthe citri (D. citri). In addition that, both fungi, which are P. rhodina and D. citri affected the vessels of tree tissues. According to the pathogenicity test, the fungus P. rhodina caused a breakdown of parenchyma cells, and the fungus D. citri caused the darkening of the xylem.

Anaplastic lymphoma kinase (ALK) is a receptor tyrosine kinase molecular target with broad importance for drug discovery, especially in the field of cancer therapeutics. ALK belongs to the insulin receptor superfamily that is involved in various malignancies, including non-small cell lung cancer, anaplastic large cell lymphoma, and neuroblastoma. ALK has been shown to play a role in cancer progression and metastasis, making it one of the prime targets to develop novel anticancer therapeutics. In this context, natural compounds can be an important resource to unravel novel ALK inhibitors. In this study, we report a structure-based virtual screening of natural compounds from the ZINC database, with an eye to potential inhibitors of ALK. Molecular docking was performed on a natural compound library, and top hits holding good binding affinity, docking score, and specificity toward ALK were selected. The hits were further evaluated based on the PAINS (pan-assay interference compounds) filter, ADMET (absorption, distribution, metabolism, excretion, toxicity) properties, PASS (prediction of activity spectra for substances) analysis, and two-dimensional interaction of protein-ligand complexes. Importantly, two natural compounds (ZINC03845566 and ZINC03999625) were identified as potential candidates for ALK, having appreciable affinity and specificity toward the ALK binding pocket and depicting drug-like properties as predicted from ADMET analysis and their physicochemical parameters. An all-atom molecular dynamics simulation for 100 ns on ALK promised stable ALK-ligand complexes. Hence, we conclude that ZINC03845566 and ZINC03999625 can act as potential ALK inhibitors against cancers where ALK plays a role, for example, in lung cancer, among others. All in all, these findings inform future discovery and translational research for ALK inhibitors as anticancer drugs.

Beta amyloid peptide is widely studied due to its association with Alzheimer disease (AD). Various study reported that the accumulation of beta amyloid in brain cells leads to Alzheimer disease. Hence, Beta amyloid peptide could be a potential target of anti-AD therapy. Hence, it is of interest to develop potent inhibitors for Beta amyloid peptide in the context of Alzheimer disease (AD). We report the binding features of Ascorbic acid, Cysteine, Dithioerythriol, Dithiothreitol, Malic acid and α-Tocopherol with beta amyloid having binding energy values of -6.7, -6.5, -6.0, -6.5, -6.7 and - 7.0 kcal/mol respectively. The molecular docking of top-scoring compounds with beta amyloid suggests that amino acids such as ASP23, GLU22, Phe19, are crucial in binding. Molecular dynamics simulation study showed steady-state interaction of compounds with beta amyloid for further consideration., (© 2022 Biomedical Informatics.)

Global biodiversity is affected remarkably by global climate change, which in turn its effect reflected on all life aspects. Identifying microorganisms in environmental samples, particularly soil could be a valuable interest to study their effect on soil quality and plant growth. Through this study, we conducted a molecular characterization of bacteria found in the rhizosphere of Medico sativa plants grown in Hail soil and we highlighted their main properties. The sequences analyses revealed that the main bacterial isolates Pseudarthrobacter, Metabacillus, Priestia, and Massilia species. According to the sequences analysis and the phylogeny tree results, some of the identified bacteria were classified at the species level: Pseudarthrobacter was identified clearly as Pseudarthrobacter phenanthrenivorans; Metabacillus isolates grouped with Metabacillus sediminilitoris and the two Priestia isolates closely related to Priestia aryabhattai. We concluded that Hail soil is a niche of diverse bacteria with a high interest in soil environment and ecosystems. Further studies are required for further classification of all identified bacteria and to define their specific role in the environment.

The development of low fouling membranes to minimize protein adsorption has relevance in various biomedical applications. Here, electrically neutral peptoids containing 2-methoxyethyl glycine (NMEG) side chains were attached to polysulfone hollow fiber membranes via polydopamine. The number of side chains and grafting density were varied to determine the effect on coating properties and the ability to prevent fouling. NMEG peptoid coatings have high hydrophilicity compared to unmodified polysulfone membranes. The extent of biofouling was evaluated using bovine serum albumin, as well as platelet adhesion. The results suggest that both the number of side chains and grafting density play a role in the surface properties that drive biofouling. Protein adsorption decreased with increasing peptoid grafting density and is lowest above a critical grafting density specific to peptoid chain length. Our findings show that the optimization of grafting density and hydration of the surface are important factors for achieving the desired antifouling performance.

Biofouling is a persistent problem for membranes exposed to blood or other complex biological fluids, affecting surface structure and hindering performance. In this study, a peptoid with 2-methoxyethyl (NMEG5) side chains was immobilized on polysulfone hollow fiber membranes to prevent protein fouling. The successful attachment of NMEG5 to the polysulfone surface was confirmed by X-ray photoelectron spectroscopy and an increase in hydrophilicity was confirmed by contact angle analysis. The NMEG5-modified surface was found to resist fouling with bovine serum albumin, lysozyme, and adsorbed significantly less fibrinogen as compared with other published low-fouling surfaces. Due to the low fouling nature and increased biocompatibility of the NMEG5 coated membranes, they have potential applicability in numerous biomedical applications including artificial lungs and hemodialysis., (Copyright © 2016 Elsevier B.V. All rights reserved.)