Structure-Based Insights into Fatty Acid Modulation of Lipid-Sensing Nuclear Receptors PPARδ/γ for Glycemic Regulation

Aspects of Molecular Medicine, Год журнала: 2025, Номер unknown, С. 100079 - 100079

Опубликована: Март 1, 2025

Язык: Английский

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Thiazolidine Based Quinazoline Hybrids: Synthesis, Docking, DFT, Molecular Dynamic Study, and In Vitro Antidiabetic Evaluation

Russian Journal of Bioorganic Chemistry, Год журнала: 2025, Номер 51(1), С. 177 - 201

Опубликована: Фев. 1, 2025

Язык: Английский

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Novel quinoline–imidazole derivatives as inhibitors of Mycobacterium tuberculosis : an integrated approach combining molecular dynamics and in-vitro studies

Molecular Simulation, Год журнала: 2025, Номер unknown, С. 1 - 19

Опубликована: Март 14, 2025

The rationale for designing and synthesising quinoline–imidazole hybrids as antitubercular cytotoxic agents stems from the strategic combination of two bioactive structural motifs to create compounds with enhanced efficacy, dual targeting, potential overcome drug resistance challenges in tuberculosis treatment. Herein, we report design synthesis hybrids. FTIR, Mass, 1H-NMR 13C-NMR spectral data characterised synthesised compounds. These were evaluated their activity against Mycobacterium (MTB) H37Rv Hep G2, normal mouse fibroblast L929 cell lines. evaluation revealed that compound 6 g exhibited promising activities a MIC value 6.26 µg/ml, while, 6d, h 6i showed moderate MTB inhibition. Additionally, 6d demonstrated cytotoxicity HepG2 lines an IC50 46.74 ± 1.209 μg/ml. Further selected underwent theoretical investigation via molecular docking, stability assessment MD trajectories quantum computations justify experimental results. obtained predicted silico indicate act effective inhibitors.

Язык: Английский

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HIF-3α/PPAR-γ Regulates Hypoxia Tolerance by Altering Glycolysis and Lipid Synthesis in Blunt Snout Bream (Megalobrama amblycephala)

International Journal of Molecular Sciences, Год журнала: 2025, Номер 26(6), С. 2613 - 2613

Опубликована: Март 14, 2025

Hypoxic stress causes cell damage and serious diseases in organisms, especially aquatic animals. It is important to elucidate the changes metabolic function caused by hypoxia mechanisms underlying these changes. This study focuses on low oxygen tolerance feature of a new blunt snout bream strain (GBSBF1). Our data show that GBSBF1 has different lipid carbohydrate metabolism pattern than wild-type bream, with altering glycolysis synthesis. In GBSBF1, expression levels phd2 vhl genes are significantly decreased, while activation HIF-3α protein observed have risen significantly. The results indicate enhanced can positively regulate gpd1ab gpam through PPAR-γ, which increases glucose reduces lipolysis GBSBF1. research beneficial for creating aquaculture strains traits.

Язык: Английский

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Indoles as promising Therapeutics: A review of recent drug discovery efforts

Bioorganic Chemistry, Год журнала: 2024, Номер 154, С. 108092 - 108092

Опубликована: Дек. 25, 2024

Язык: Английский

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