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Thymoquinone suppresses cell growth and induces ferroptosis in renal cell carcinoma by reducing SERPINH1 expression
February 2025
Thymoquinone (TQ) plays an important role in regulating cell behaviors of renal cell carcinoma (RCC). Ferroptosis is an iron-dependent cell death involved in cancer repression. Herein, the effect of...
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Computational and experimental evaluation of a dual COX inhibitor: Insights from DFT, molecular simulations, and in-vitro validation
February 2025
Inflammation, a fundamental aspect of numerous chronic disorders, is meticulously regulated by the cyclooxygenase enzymes COX-1 and COX-2, which are essential targets for anti-inflammatory treatments....
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Effect and safety of modified-release insulin-loaded liposome prototypes on glycemia in experimental models of type 1 diabetes mellitus
February 2025
Diabetes mellitus (DM) is a chronic metabolic disorder characterized by abnormal elevation of blood glucose and alterations in insulin release, insulin action, or both....
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The search for the holy grail: In silico design and analysis of a non-sedative third generation, cetirizine-derived H1R anti-histamine with reduced hERG toxicity
February 2025
Second-generation antihistamines, such as cetirizine, are widely used to treat allergic conditions due to their reduced sedation compared to first-generation drugs. However, cetirizine can still cause...
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Puerarin alleviates spinal cord injury by mediating the proliferation and activation of NG2 glial cells
February 2025
Spinal cord injury (SCI) leads to significant brain alterations, the vital factors affecting functional recovery. Accumulating evidence demonstrated the neuroprotective effect of Puerarin (Pur), a natural...
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Exploring the mechanism of Grifolin in inhibiting the malignant progression of colon cancer cells mediated by the PDGFRB/PI3K/AKT signaling pathway based on bioinformatics analysis and network pharmacology
February 2025
Colon cancer is one of the most common malignant tumors worldwide, which seriously threatens human life and health. Grifolin is a small molecule compound that has been shown to inhibit the malignant...
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A comprehensive in-silico approach (pharmacophoric QSAR and docking-based comparative intermolecular analysis) led to identifying new PIM2 kinase inhibitors for treating resistant lymphomas
February 2025
Proviral integration sites of Moloney kinase 2 (PIM2) have emerged as a key target for developing treatments against resistant lymphomas....
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Exploring the mechanism of action of tolvaptan in the treatment of cor pulmonale pulmonary hypertension using network pharmacology and animal-based experiments
January 2025
Cor pulmonale is a heart disease caused primarily by pulmonary hypertension (PH) due to vascular lesions of the broncho-pulmonary tissue or pulmonary arteries. PH is a central link and prerequisite...
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Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis
January 2025
To investigate the mechanisms of Yangxuetongmai Decoction in treating essential hypotension using network pharmacology, Mendelian randomization, and molecular docking strategy analysis....
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Simulation, 3D-QSAR, molecular docking and pharmacophore mapping studies on indole derivatives as aromatase inhibitors
January 2025
Aromatase inhibition is a proven strategy for the treatment of ER+ breast cancer, which accounts for more than 70 % of cases of breast cancer. Indole-based aromatase inhibitors have changed the dynamics...
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Exploration of the mechanism of quercetin against GDM based on network pharmacology and molecular docking
January 2025
Gestational diabetes mellitus (GDM) is among the most common complications in pregnancy, endangering both the mother and the fetus. Quercetin demonstrated anti-hyperglycemic effects. Our research aimed...
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Chromium chelated carrageenan: An investigation of physicochemical properties, toxicity, and antimicrobial potential through a computational and experimental approach
January 2025
Carrageenan (car-) was extracted from Eucheuma isoforme and chelated with chromium ions (Cr³⁺) to evaluate its physicochemical properties, antimicrobial potential, and toxicity through both experimental...
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Drug designing and synthesis of novel diphenyl 1,3,4 oxadiazoles: Multi-targeted therapeutics for the treatment of malassezia-induced dandruff
January 2025
This article explores the potential of novel Diphenyl 1,3,4-oxadiazole as an anti-dandruff agent against Malassezia species. Mono-, di-, and triglycerides generated from human skin sebum are broken...
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Glucosamine hinders IL-1β-induced CHON-001 cell injury and inflammation by inhibiting YY1-mediated TLR8
January 2025
Knee osteoarthritis (KOA) is threatening the health of humans. The glucosamine (GLC) has the potential to treat moderate osteoarthritis, and toll-like receptor (TLR) plays an important role in cartilage...
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