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The Chelonaplysilla genus possesses a numerous bioactive diterpenes with anti-inflammatory and cytotoxic effects. The current study aimed to assess the chemical composition of C. erecta crude extract (CECE) based on its metabolomic profile that has been integrated with neural network-based virtual screening and molecular docking using liquid chromatography with high resolution mass spectrometry (LCHR-MS). In addition to the estimation of the antitumor activity of the same extract via anti-interleukin-17A (IL-17) action, along with its formulated spanlastics preparation. The CECE markedly displayed growth inhibition for HepG-2 cells at IC50 value 16.5 ± 0.8 μg/mL, whereas the spanlastic formulation revealed more eminent antitumor effect against Caco-2 cells (IC50 = 2.8 ± 0.03 μg/mL). Among the dereplicated compounds, macfarlandin F (16) and pourewanone (25) demonstrated the highest potential with co-crystallized ligand 63 O within the active site of IL-17A in molecular docking studies. These findings rationalized the antitumor mechanism of marine organism for future chemotherapeutic applications. [ABSTRACT FROM AUTHOR]

In the current study, the hepatoprotective activity of vanillic acid, silymarin, and vanillic acid-loaded silver nanoparticles (AgNPs) against CCl4-induced hepatotoxicity was tested in male rats for four weeks. Thirty male rats were divided into five groups (n = 6). The 1st group was a negative control, the 2nd group was a positive control, the 3rd group was treated with 100 mg/kg b.w. of vanillic acid, the 4th group was treated with 100 mg/kg b.w. of vanillic acid–AgNPs, and the 5th group was treated with 50 mg/kg b.w. of silymarin. The CCl4-induced hepatic toxicity in the 2nd group was revealed by the liver function and all other biochemical tests. Liver enzymes, bilirubin, lipid peroxidation, lactate dehydrogenase, and interleukin-6 were elevated, whereas, total protein, antioxidant enzymes, and irisin were decreased compared to the negative control. The hepatic tissues were also injured as a result of the CCl4-induced hepatotoxicity. Treating the hepatotoxic rats with vanillic acid moderately protected the rats of the 3rd group, whereas treatment with vanillic AgNPs and silymarin in G4 and G5, respectively, greatly protected the rats against the CCl4 hepatotoxicity, approaching the normal biochemical levels and liver tissue appearance. The biochemical tests were confirmed by the histological investigations of liver tissue. [ABSTRACT FROM AUTHOR]

With the emergence of the COVID-19 pandemic, the World Health Organization (WHO)has urged scientists and industrialists to exploremodern information and communication technology (ICT) as a means to reduce or even eliminate it. The World Health Organization recently reported that the virus may infect the organism through any organ in the living body, such as the respiratory, the immunity, the nervous, the digestive, or the cardiovascular system. Targeting the abovementioned goal, we envision an implanted nanosystem embedded in the intra living-body network. The main function of the nanosystem is either to perform diagnosis and mitigation of infectious diseases or to implement a targeted drug delivery system (i.e., delivery of the therapeutic drug to the diseased tissue or targeted cell). The communication among the nanomachines is accomplished via communication-based molecular diffusion. The control/interconnection of the nanosystem is accomplished through the utilization of Internet of bio-nano things (IoBNT). The proposed nanosystem is designed to employ a coded relay nanomachine disciplined by the decode and forward (DF) principle to ensure reliable drug delivery to the targeted cell. Notably, both the sensitivity of the drug dose and the phenomenon of drug molecules loss before delivery to the target cell site in long-distance due to the molecules diffusion process are taken into account. In this paper, a coded relay NM with conventional coding techniques such as RS and Turbo codes is selected to achieve minimum bit error rate (BER) performance and high signal-to-noise ratio (SNR), while the detection process is based on maximum likelihood (ML) probability and minimum error probability (MEP). The performance analysis of the proposed scheme is evaluated in terms of channel capacity and bit error rate by varying system parameters such as relay position, number of released molecules, relay and receiver size. Analysis results are validated through simulation and demonstrate that the proposed scheme can significantly improve delivery performance of the desirable drugs in the molecular communication system. [ABSTRACT FROM AUTHOR]

In this work, three fungal endophytes identified as Aspergillus terreus (AFL, AFSt and AFR), were studied for their antioxidant potential. LC-MS-based metabolomics, followed by multivariate statistical analysis were then applied to comprehensively profile their extracts. The three fungal endophytes revealed interesting antioxidant potential, in particular, the strain isolated from the Artemisia annua leaves (AFL), which was rich in different types of phenolic metabolites. Additionally, all fungal-derived ethyl acetate extracts showed potent inhibition against the prooxidant xanthine oxidase. Multivariate analysis (PCA and PLS-DA) demonstrated a unique chemical fingerprint for each strain, where phenolics, coumarins, and polyketides were the discriminative metabolites of the three fungal strains. The present findings highlighted the power of metabolomics in the chemotaxonomical classification of closely related strains. It also asserted the role of fungal endophytes in the management of oxidative stress, particularly when they are utilized in the production of fermented food products. [ABSTRACT FROM AUTHOR]

The current biologically guided study aimed the in vitro investigation of cytotoxic activity, identification of the phytochemical content of Moluccella laevis L. aerial parts and supporting this activity by a molecular docking study. Aqueous fraction demonstrated the most potent cytotoxic effect against CACO-2 with IC50 = 0.067 ± 0.01 μg/mL. Furthermore, EtOAc fraction showed a remarkable cytotoxic activity against MCF-7 cell line with IC50 = 0.35 ± 0.02 μg/mL. Consequently, total ethanolic extract (TEE) and its fractions were subjected to LC-HR-ESI-MS metabolic profiling to discover the constituents that possibly underlie their cytotoxicity. Twenty compounds were tentatively identified from metabolic analysis. Furthermore, eight compounds were isolated. In silico docking study revealed that stachydrine is more likely to account for the antiproliferative activity of both EtOAc and aqueous fractions, probably via its moderate inhibition of receptor tyrosine kinases. [ABSTRACT FROM AUTHOR]

The chemical profiling of the main phytoconstituents of total ethanolic extract (TEE) and its different fractions of Bignonia binata leaves was dereplicated using liquid chromatography–high resolution-electrospray ionisation–mass spectrometry (LC-HR-ESI-MS), revealed the presence of various classes of secondary metabolites; eight phenylethanoids, two flavonoidal glycosides and two iridoids. Moreover, the hepatoprotective and nephroprotective activities of the TEE and its different fractions were investigated in carbon tetrachloride (CCl4)-intoxicated rats and were compared with those of silymarin-treated group, revealing the highest potency of the EtOAc group, followed by the aqueous one in improving the CCl4-induced alterations in several biochemical parameters. Besides, EtOAc and aqueous fractions exhibited the most inhibition of CCl4-induced inflammatory mediators and improving the changes in the histopathological structures of the liver and kidney. In addition, the EtOAc fraction demonstrated the highest total phenolic content, whereas TEE showed the highest amount of total flavonoid content. [ABSTRACT FROM AUTHOR]