The interaction with duplex DNA of a series of 12 previously synthesised ruthenium (II) complexes incorporating extended terpyridines or analogous ligands is reported. The interaction was investigated using absorption spectroscopy and also, when possible, luminescence spectroscopy. Binding parameters for the interactions were estimated using established models. It was found that binding affinities are relatively large and their magnitude is somewhat dependent on the metal centre attached to the ligand. Viscosity studies reveal that all the complexes interact with DNA through groove binding and not intercalation. The variation in binding affinities of these complexes is rationalised by a consideration of electrostatic and steric factors.
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http://dx.doi.org/10.1016/j.jinorgbio.2006.03.005 | DOI Listing |
Ecotoxicol Environ Saf
January 2025
State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China. Electronic address:
Honeybees, essential pollinators for maintaining biodiversity, are experiencing a sharp population decline, which has become a pressing environmental concern. Among the factors implicated in this decline, neonicotinoid pesticides, particularly those belonging to the fourth generation, have been the focus of extensive scrutiny due to their potential risks to honeybees. This study investigates the molecular basis of these risks by examining the binding interactions between Apis mellifera L.
View Article and Find Full Text PDFJ Med Chem
January 2025
Key Laboratory of Radiopharmaceuticals, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China.
Precise surgical resection of prostate cancer (PCa) is a significant clinical challenge due to the impact of positive surgical margins on postoperative outcomes. Fluorescence-guided surgery (FGS) enables real-time tumor visualization using fluorescent probes. In this study, we synthesized and evaluated an indocyanine green (ICG)-based PSMA-targeted near-infrared probe, , for intraoperative imaging of PCa lesions.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Department of Chemistry, New York University, New York, New York 10003, United States.
Molecular Docking is a critical task in structure-based virtual screening. Recent advancements have showcased the efficacy of diffusion-based generative models for blind docking tasks. However, these models do not inherently estimate protein-ligand binding strength thus cannot be directly applied to virtual screening tasks.
View Article and Find Full Text PDFRSC Chem Biol
January 2025
Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences Flemingovo n. 2 Prague 6 Czechia
The LutR protein represses the transcription of genes encoding enzymes for the utilization of l-lactate in through binding to a specific DNA region. In this study, we employed oligonucleotide probes modified by viscosity-sensitive tetramethylated thiophene-BODIPY fluorophores to investigate the impact of selected metabolites on the LutR-DNA complex. Our goal was to identify the effector molecule whose binding alters the protein-DNA affinity, thereby enabling gene transcription.
View Article and Find Full Text PDFFront Pharmacol
January 2025
GuiZhou Institute of Subtropical Crops, Guizhou Academy of Agricultural Sciences, Guiyang, China.
Objective: This study aimed to identify the potential active compounds in Rhizoma Musae decoction and understand their mechanisms of action in osteoarthritis treatment.
Methods: UHPLC-Q-Exactive-MS/MS technology was used for an in-depth analysis of the chemical compounds present in Rhizoma Musae decoction. A network analysis approach was used to construct a comprehensive network of compounds, targets, and pathways, which provided insights into the molecular mechanisms of Rhizoma Musae decoction in osteoarthritis treatment.
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