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[Display omitted] • A DFT study of CUR interacting with B 40 and SiB 39 based carriers. • Interaction energy between CUR and B 40 is chemisorption. • B 40 and SiB 39 are electronically sensitive to CUR drug. • Molecular docking results illustrated that CUR/B 40 complexes have a good docking score with COX1, and TNF-alpha receptors. In this paper, density functional theory calculations have been employed to study the interaction of curcumin through β-diketone- and enol- forms with the borospherene molecule (B 40) and its silicon-doped variant (SiB 39) for application as a nanocarrier for designing a drug delivery system. The obtained results from binding energies analysis indicated that the enol form (state II: −1.32 eV) and β-diketone form (state III: −2.51 eV) of curcumin prefers a strong polar covalent B-O and Si-O bonds through carbonyl groups after the interaction with B 40 and SiB 39 fullerenes. The boron fullerene doped with silicon atom improves the adsorption of β-diketone form and has higher binding energy values and increased dipole moment. So, SiB 39 fullerene is more sensitive to the presence of β-diketone (state III: 76.84 %) and enol form is (state IV: 93.68 %) compared to the B 40 fullerene due to the alteration in energy gap. According to molecular docking analysis the β-diketone curcumin conjugated with SiB 39 (state III) and B 40 fullerenes (state I) revealed the best binding affinity with the tumor necrosis factor alpha (TNF-α) receptor (-8.9 kcal/mol) and the cyclooxygenase-1 (COX-1) receptor (-8.8 kcal/mol). The anticancer activities of β-diketone curcumin conjugated B 40 and SiB 39 fullerenes improved in comparison with curumin towards Epidermal growth factor and Human Epidermal Growth Factor Receptor 2 receptors. Molecular docking simulation analysis illustrated that the interaction of curcumin conjugated B 40 and SiB 39 fullerenes have great potential for the anticancer and anti-inflammatory activities in contrast to Curcumin. Thus, the molecular docking and density functional theory analysis confirm that curcumin decorated B 40 and SiB 39 fullerenes have significant potential to be explored further in cancer and inflammation treatments. [ABSTRACT FROM AUTHOR]

Atypical chemokine receptor 4 (ACKR4), also known as CCX‐CKR, is a member of the chemokine receptor family that lacks typical G protein signaling activity. Instead, ACKR4 functions as a scavenger receptor that can bind and internalize a wide range of chemokines, influencing their availability and activity in the body. ACKR4 is involved in various physiological processes, such as immune cell trafficking and the development of thymus, spleen, and lymph nodes. Moreover, ACKR4 has been implicated in several pathological conditions, including cancer, heart and lung diseases. In cancer, ACKR4 plays a complex role, acting as a tumor suppressor or promoter depending on the type of cancer and the stage of the disease. For instance, ACKR4 may inhibit the growth and metastasis of breast cancer, but it may also promote the progression of hepatocellular carcinoma and gastric cancer. In inflammatory situations, ACKR4 has been found to modulate the recruitment and activation of immune cells, contributing to the pathogenesis of diseases such as myocardial infraction and pulmonary sarcoidosis. The study of ACKR4 is still ongoing, and further research is needed to fully understand its role in different physiological and pathological contexts. Nonetheless, ACKR4 represents a promising target for the development of novel therapeutic strategies for various diseases. Significance Statement: The exploration of Atypical Chemokine Receptor 4 (ACKR4/CCX‐CKR) represents a pivotal and timely endeavor in contemporary research, as it delves comprehensively into both the physiological and pathological landscapes. Investigating the multifaceted roles of ACKR4 across these contexts not only enhances our understanding of its fundamental biological functions but also sheds light on its potential implications in various diseases. This research contributes significantly to the current knowledge in cell biochemistry and function, offering insights that could pave the way for novel therapeutic interventions and diagnostic strategies. The comprehensive examination of ACKR4 aligns with the evolving landscape of molecular and cellular research, positioning it as a crucial player in unraveling the intricacies of cellular signaling and function, thereby advancing the frontiers of scientific knowledge in the field. [ABSTRACT FROM AUTHOR]

The response of the immune system to harmful stimuli leads to inflammation, and the adverse effects of the toxic hepatitis chemical, thioacetamide (TAA) on the human body are well documented. This article investigated the degree of protection provided by the combined pleotropic drug, metformin (Met) and the plant polyphenolic and the antiinflammatory compound, resveratrol (Res) on liver tissue exposed to TAA possibly via the inhibition of the inflammatory cytokine, tumor necrosis factor-α (TNF-α) / mammalian target of rapamycin (mTOR) axis-mediated liver fibrosis, as well as amelioration of profibrotic gene and protein expression. Rats were either given TAA (200 mg/kg via intraperitoneal injection) for 8 weeks beginning at the third week (experimental group) or received during the first two weeks of the experiment combined doses of metformin (200 mg/kg) and resveratrol (20 mg/kg) and continued receiving these agents and TAA until experiment completion at week 10 (treated group). A considerable damage to hepatic tissue in the experimental rats was observed as revealed by tissue collagen deposition in the portal area of the liver and a substantial increase (p<0.0001) in hepatic levels of the inflammatory marker, tumor necrosis factor-α (TNF-α), as well as blood levels of hepatocellular injury biomarkers, alanine aminotransferase (ALT) and aspartate aminotransferase (AST). TAA also augmented hepatic tissue levels of the signalling molecule that promotes liver fibrosis (mTOR), and profibrogenic markers; alpha-smooth muscle actin (α-SMA) protein, tissue inhibitor of metalloproteinases-1 (TIMP-1) mRNA, and matrix metalloproteinase-9 (MMP-9) mRNA. All these parameters were protected (p≤0.0016) by Met+Res. In addition, a significant correlation was detected between liver fibrosis score and inflammation, liver injury enzymes, mTOR, and profibrogenesis markers. Thus, these findings suggest that Met+Res effectively protect the liver against damage induced by thioacetamide in association with the downregulation of the TNF-α/mTOR/fibrosis axis. [ABSTRACT FROM AUTHOR]

The synthesis of polymers using environmentally friendly materials is on the rise. New chitosan, oxidized pectin, and tantalum metal–organic framework hydrogel were synthesized using chitosan and pectin, which are both available and environmentally friendly polymer materials. By scanning electron microscope images, energy-dispersive X-ray spectroscopy and EDAX mapping, X-ray diffraction pattern, Fourier transform infrared spectrum, and N2 adsorption/desorption isotherm curve, the structure of the synthesized polymer was confirmed. A specific surface area of about 26 m2/g was observed from the final system. The same morphology, and 51 nm particle size were other features of synthetic chitosan, oxidized pectin, and tantalum metal–organic framework hydrogel. The antimicrobial activity of the synthesized polymer was studied on Yersinia ruckeri, Vibrio fluvialis, Edwardsiella tarda, Lactococcus garvieae, and Streptococcus iniae as microbial agents of aquatic pathogens. The synthetic polymer studied in this research can be reported as a robust antimicrobial compound with an MBC of 4–128 mg/ml. A key aspect of this study is the synthesis of new polymers using environmentally friendly and controllable methods. Among other novelties of this study, it can be mentioned that it is effective against common pathogenic strains of humans and aquatic, which in some cases was more effective than available commercial drugs. [ABSTRACT FROM AUTHOR]

The desirable characteristics of the hydrolytic enzymes for cellulose digestion include high catalytic activity and stress resistance ability under diverse condition during the process of bioconversion. In this view, for enhancing the thermal stability and functional specificity of enzymes, nanomaterials offer enormous potential. The waste bark of the Moringa plant, which is found to be rich in phytochemicals, has been used to synthesize MgO nanoparticles (MgO NPs) in the current study using an environmentally friendly and economical process. The newly synthesized MgO NPs has been characterized through various tools that included XRD, FT-IR, Raman spectroscopy, UV-Vis spectroscopy, SEM and TEM to evaluate physicochemical properties. Thereafter, impact of this phytochemically synthesized MgO NPs has been analyzed on the thermal stability and efficiency of the raw fungal cellulases. The different enzyme components demonstrated elevated thermal stability, such as filter paper activity (FPA) at 60 °C for 6.5 h, β-glucosidase (BGL) activity at 6.0 h, and endoglucanase (EG) activity at 50 °C for 4.0 h at a 20 mg concentration of MgO NPs. Such an improved nanomaterials assisted thermal efficiency of the enzyme systems can be further explored for numerous cellulase-enabled industrial purposes. [Display omitted] • Cellulose and lignin rich moringa bark is used for fabrication of MgO nanoparticles. • Characterizations of green synthesized MgO nanocatalyst have been performed. • Nanocatalysts is applied for thermal stability investigation of fungal cellulases. • This work has application in cellulose waste-based valorization for industries. [ABSTRACT FROM AUTHOR]