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Apigenin-mediated MARK4 inhibition: a novel approach in advancing Alzheimer's disease therapeutics.
Mol Divers
January 2025
Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, Jamia Nagar, New Delhi, 110025, India.
Apigenin, a dietary flavonoid with notable anti-cancer properties, has emerged as a promising candidate for the treatment of neurodegenerative disorders, particularly Alzheimer's disease (AD). While extensively studied for its ability to modulate key molecular pathways in cancers, apigenin also exerts neuroprotective effects by reducing neuroinflammation, protecting neurons from oxidative stress, and enhancing neuronal survival and synaptic plasticity. This dual functionality makes apigenin an intriguing therapeutic option for diseases like AD, where kinase dysregulation plays a central role.
View Article and Find Full Text PDFPredicting the location of coordinated metal ion-ligand binding sites using geometry-aware graph neural networks.
Comput Struct Biotechnol J
December 2024
Department of Electrical Engineering and Computer Science, Bond Life Sciences Center, University of Missouri, Columbia, MO, USA.
More than 50 % of proteins bind to metal ions. Interactions between metal ions and proteins, especially coordinated interactions, are essential for biological functions, such as maintaining protein structure and signal transport. Physiological metal-ion binding prediction is pivotal for both elucidating the biological functions of proteins and for the design of new drugs.
View Article and Find Full Text PDFCharacterization of the ligand-binding properties of odorant-binding protein 38 from when interacting with soybean volatiles.
Front Physiol
January 2025
Plant Protection Institute, Hebei Academy of Agriculture and Forestry Sciences, Key Laboratory of Integrated Pest Management on Crops in Northern Region of North China, Ministry of Agriculture and Rural Affairs, IPM Innovation Center of Hebei Province, International Science and Technology Joint Research Center on IPM of Hebei Province, Baoding, China.
Background: (Fabricius) (Hemiptera: Alydidae) is a major soybean pest throughout East Asia that relies on its advanced olfactory system for the perception of plant-derived volatile compounds and aggregation pheromones for conspecific and host plant localization. Odorant binding proteins (OBPs) facilitate the transport of odorant compounds across the sensillum lymph within the insect olfactory system, enabling their interaction with odorant receptors (ORs).
Methods: Real-time quantitative PCR (qRT-PCR) analyses, fluorescence-based competitive binding assays, and molecular docking analyses were applied to assess the expression and ligand-binding properties of OBP38 from .
Computational Exploration of Phenolic Compounds from Endophytic Fungi as α-Glucosidase Inhibitors for Diabetes Management.
ACS Omega
January 2025
Department of Biosciences, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam, Sri Sathya Sai District, Puttaparthi, Andhra Pradesh 515134, India.
Diabetes has become a global epidemic, affecting even the younger people on an alarming scale. Inhibiting intestinal α-glucosidase is one of the key approaches to managing type 2 diabetes (T2D). In the present study, phenolic compounds (PCs) produced by endophytic fungi as potential α-glucosidase inhibitors (AGIs) are explored through ADMET profiling, molecular docking, and molecular dynamics (MD) Simulations.
View Article and Find Full Text PDFMolecular Determinants of Optical Modulation in ssDNA-Carbon Nanotube Biosensors.
ACS Nano
January 2025
Janelia Research Campus, Howard Hughes Medical Institute, Ashburn, Virginia 20147, United States.
Most traditional optical biosensors operate through molecular recognition, where ligand binding causes conformational changes that lead to optical perturbations in the emitting motif. Optical sensors developed from single-stranded DNA-functionalized single-walled carbon nanotubes (ssDNA-SWCNTs) have started to make useful contributions to biological research. However, the mechanisms underlying their function have remained poorly understood.
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