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The pyruvate kinase M2 isoform (PKM2) is linked with cancer. Therefore, it is of interest to document the molecular docking analysis of Pyruvate Kinase M2 (PDB ID: 4G1N) with potential activators from the ZINC database. Thus, we document the optimal molecular docking features of a compound having ID ZINC000034285235 with PKM2 for further consideration.
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http://dx.doi.org/10.6026/97320630017139 | DOI Listing |
Spectrochim Acta A Mol Biomol Spectrosc
September 2025
College of Chemistry, Zhengzhou University, Zhengzhou, Henan 450001, PR China.
The interactions of three berberine mid-chain fatty acid salts ([BBR][C], n = 6, 7, 8) with lysozyme (Lyz) are investigated in detail using multi-spectroscopic and molecular docking techniques. Steady-state fluorescence and UV-visible absorption experiments suggest that the binding mechanism of [BBR][C] on Lyz is a static quenching with a binding ratio of 1:1. The compound [BBR][C] exhibits a moderate binding affinity toward Lyz.
View Article and Find Full Text PDFNutr Rev
September 2025
Department of Pharmaceutics, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, Karnataka 576104, India.
Pomegranate (Punica granatum L) is a rich source of bioactive compounds, including punicalagin, ellagic acid, anthocyanins, and urolithins, which contribute to its broad pharmacological potential. This review summarizes evidence from in vitro and in vivo experiments, as well as clinical studies, highlighting pomegranate's therapeutic effects in inflammation, metabolic disorders, cancer, cardiovascular disease, neurodegeneration, microbial infections, and skin conditions. Mechanistic insights show modulation of pathways such as nuclear factor-kappa B (NF-κB), mitogen-activated protein kinase (MAPK), alpha serine/threonine-protein kinase (AKT1), and nuclear factor erythroid 2-related factor 2 (Nrf2).
View Article and Find Full Text PDFPlant Cell
September 2025
Department of Plant Sciences, College of Biological Sciences, State Key Laboratory of Plant Environmental Resilience, China Agricultural University, Beijing 100193, China.
Plant thermomorphogenesis is a critical adaptive response to elevated ambient temperatures. The transcription factor PHYTOCHROME-INTERACTING FACTOR 4 (PIF4) integrates diverse environmental and phytohormone signals to coordinate thermoresponsive growth. However, the cellular mechanisms underlying plant thermomorphogenic growth remain poorly understood.
View Article and Find Full Text PDFChem Biodivers
September 2025
Department of Clinical Pharmacy, College of Pharmacy, University of Sulaimani, Sulaimani, Iraq.
The global rise in antibiotic resistance demands the urgent development of new antibacterial agents. This study investigated the antibacterial potential of four synthesized methoxy and thiophene chalcone derivatives (designated 3a, 4a, 3b, and 4b) against clinically relevant bacterial pathogens. These compounds were prepared through Claisen-Schmidt condensation, while their chemical structures were verified through applying Fourier-transform infrared, mass spectrometry, H nuclear magnetic resonance (NMR), and C NMR.
View Article and Find Full Text PDFChem Biodivers
September 2025
Department of Biology, Faculty of Science, Selçuk University, Konya, Turkey.
Hippophae salicifolia, commonly known as sea buckthorn, is native to the Indian Himalayan region. This study is the first to comprehensively assess the phytochemical profile and biological activities of H. salicifolia leaves extracted through maceration, infusion, and percolation (Soxhlet apparatus) methods.
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