Luteolin, a bioactive compound from Celastrus orbiculatus stem, inhibits cervical cancer via CA2 suppression: A translational study bridging basic research and clinical application.

BACKGROUND Ulcerative colitis (UC) is a chronic inflammatory bowel disease for which effective therapies are lacking. Niu Huang (NH) is a traditional Chinese medicine used for inflammatory disorders. However, its protective effect on UC and its underlying mechanisms are unknown. AIM To uncover the mechanisms underlying the anti-colitis effects of the NH. METHODS Network pharmacology was applied to predict the active ingredients and targets of NH. Experimental validation was conducted in a dextran sulfate sodium-induced murine colitis model. The therapeutic efficacy was assessed using symptoms, histopathology, quantitative polymerase chain reaction, western blotting, immunohistochemistry and enzyme linked immunosorbent assay, while the underlying mechanism was investigated through integrated transcriptomic and proteomic analyses. In addition, the critical role of farnesoid X receptor (FXR) in mediating the effects of NH was validated using the FXR inhibitor guggulsterone and Fxr-/- mouse models. RESULTS Network pharmacology revealed that the bioactive component of NH is bile acid. Our animal experiments demonstrated that NH treatment significantly alleviated colitis symptoms and pathological damage. NH preserved intestinal mucosal integrity by upregulating occludin, claudin3, E-cadherin and leucine rich repeat containing G protein-coupled receptor 5 expression. Transcriptomic and proteomic analyses revealed that bile secretion, the nuclear factor kappa B signaling pathway and the complement and coagulation cascade pathway are key targets of NH. Western blotting confirmed that NH increased FXR levels and reduced P65, complement component 3 (C3) and NOD-like receptor family pyrin domain containing 3 (NLRP3) expression. Furthermore, experiments using Fxr -/- mice and the FXR antagonist revealed that FXR is a pivotal target through which NH attenuates UC. Mechanistic analysis revealed that the effects of NH on UC are mediated by the modulation of targets involved in the activation of FXR and the subsequent inhibition of C3/NLRP3 activation. CONCLUSION This study demonstrates the therapeutic effects of NH on UC. Mechanistically, NH acts by activating FXR, which subsequently inhibits the nuclear factor kappa B pathway to reduce C3 accumulation and suppress excessive NLRP3 inflammasome activation in colon tissue.

Integrative bioinformatics and machine learning combined with experimental validation in a doxorubicin-induced model identify BACH2, NXPH4, CD1E, and LIF as sodium overload-related molecular signatures in dilated cardiomyopathy.

Shiwei Hezi Pill alleviates cisplatin-induced acute kidney injury through integrative network pharmacology, transcriptomics and experimental validation.

Aloperine exerts anti-ovarian cancer effects by regulating the tricarboxylic acid cycle and glycolysis: A comprehensive study integrating network pharmacology, molecular docking, metabolomics, and experimental validation.

MT2A buffering exhaustion marks cuproptosis in severe COVID-19: Multi-omics integration, computational modeling, and experimental validation.

Integrative multi-omics and experimental validation identify histone acetylation-related genes BCL9L, STX10 and LSM7 as key mediators of PD-1-driven immune evasion and prognosis in non-small cell lung cancer.

Revealing the catalytic activities of 3d–5d transition metals in C–O bond cleavage for biofuels: Insights from computational predictions and experimental validation

Multiscale in-silico profiling of phenoxy-acetamide: integrated ADME-Tox assessment, multi-target docking, molecular-dynamics validation, and Hirshfeld crystal analysis for antibacterial lead optimization.

In this work, we have investigated supercritical CO2(scCO2)-assisted spray drying for the production of drug particles using ketoprofen as a model Active Pharmaceutical Ingredient (API). We have used an experimental and Computational Fluid Dynamics (CFD) simulations approach to explore the hydrodynamics and particle formation pathways of a scCO2-assisted spray drying. The Eulerian-Lagrangian CFD framework was developed to describe the scCO2-assisted atomization of a drug solution through a micro-orifice two-fluid nozzle structure. The commercial CFD code, Ansys FLUENT (2024R2) was used. The relevant thermodynamic sub-models were integrated via user-defined functions. Experimental validation and calibration were guided by real-time laser-diffraction-based particle sizing methods as well as offline dynamic light scattering measurements. The comparison of simulated and experimentally measured average particle sizing data showed good agreement across three different feed solution concentrations at an injection pressure of 110bar and feed solution flow rate of 1mL/min. The developed model offers a cost-effective tool for design, simulation and optimization of relevant drug particle production setups.

Research on the mechanism of Carthamus tinctorius L. against skin fibrosis in systemic sclerosis based on serum pharmacochemistry, network pharmacology, and experimental validation.

Senegenin attenuates LPS-induced neuroinflammation and microglial cell death via Akt phosphorylation and suppression of cGAS-STING-NLRP3 signaling: Network pharmacology and experimental validation.

Conventional tuned mass dampers (TMDs) require substantial static displacement when designed for low-frequency vertical vibration control, which poses major challenges in applications where installation space and structural compactness are critical. To address this issue, this study proposes a novel TMD integrated with a negative stiffness mechanism (TMD-NSM). The NSM is realized using a cam-roller-leaf spring assembly, providing effective negative stiffness while maintaining a compact, low-friction configuration. A systematic design methodology is developed, including derivation of the cam surface profile and a step-by-step parameter selection procedure. The governing equation of motion, accounting for viscous damping and friction, is derived to predict the dynamic behavior of the TMD-NSM. Experimental validation using physical models demonstrates that a TMD-NSM tuned to 0.15 Hz limits static displacement to only 1.7 m, which is substantially lower than the over 11 m required by a conventional TMD. Numerical parametric studies further examine the effects of TMD mass, tuning frequency, leaf spring predeflection, and friction between cam and roller on system design and performance, highlighting the TMD-NSM’s robustness and flexibility. The results confirm that the proposed TMD-NSM provides an effective and practical solution for low-frequency vertical vibration control in large-scale civil structures.

Fracture-resistant ZrN-SS316L graded cermet composite design using finite element simulations and experimental validation

Combining LC/IM-QTOF-MS with serum pharmacochemistry to identify active compounds and functional mechanisms of Fritillaria ussuriensis in asthma.

Proteinuria is a key indicator and therapeutic difficulty in the progression of kidney diseases. Yingbupu (YBP), an ethnic medicine, has demonstrated significant proteinuria-lowering effects in folk applications, but its exact nephroprotective effects and molecular mechanisms are still unclear. To investigate the nephroprotective effect of YBP and its mechanism of action. UPLC-Q-Orbitrap HRMS technology was used to analyze the absorbed constituents of YBP, and integrated methods of network pharmacology, molecular docking, and adriamycin renal injury model rat experiments (observation of general indexes, urinary proteins, ultrastructure of renal tissues, immunohistochemistry, WB, and PCR) were used to evaluate the renoprotective effects and mechanisms of action of YBP. Twenty-four absorbed constituents were identified in YBP, and 136 key targets were screened. Enrichment analysis suggested that the Wnt/β-catenin signaling pathway might play a central role. Animal experiments confirmed that YBP could significantly improve renal injury and reduce urinary protein level, inhibit the reduction of β-catenin nuclear translocation, and significantly down-regulate the expression of target genes such as Cyclin D1 and Axin-2. The renoprotective effect of YBP can be attributed to its ability to effectively reverse the abnormal activation of Wnt/β-catenin pathway.

Stable suspensions enable accurate TXRF determination of dispersed Rb and Sr in ore samples.

Freezing and thawing of biologics in bottles and downscale modelling evaluation.

Integrative computational and experimental approaches to Hydnocarpus wightianus phytochemicals: Targeting breast Cancer through systems biology, molecular dynamics simulations, and in vitro validation in MDA-MB-231 cells.

On-board methanol production using a hollow fibre-based reactor: modelling and experimental validation