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Nitric oxide (NO) acts in different physiological processes, such as blood pressure control, antiparasitic activities, neurotransmission, and antitumor action. Among the exogenous NO donors, ruthenium nitrosyl/nitro complexes are potential candidates for prodrugs, due to their physicochemical properties, such as thermal and physiological pH stability. In this work, we proposed the synthesis and physical characterization of the new nitro terpyridine ruthenium (II) complexes of the type [Ru(L)(NO)(tpy)]PF where tpy = 2,2':6',2″-terpyridine; L = 3,4-diaminobenzoic acid (bdq) or o-phenylenediamine (bd) and evaluation of influence of diimine bidentate ligand NH.NHq-R (R = H or COOH) in the HSA/DNA interaction as well as antiviral activity. The interactions between HSA and new nitro complexes [Ru(L)(NO)(tpy)] were evaluated. The K values for the HSA-[Ru(bdq)(NO)(tpy)] is 10 times bigger than HSA-[Ru(bd)(NO)(tpy)]. The sites of interaction between HSA and the complexes via synchronous fluorescence suppression indicate that the [Ru(bdq)(NO)(tpy)] is found close to the Trp-241 residue, while the [Ru(bd)(NO)(tpy)] complex is close to Tyr residues. The interaction with fish sperm fs-DNA using direct spectrophotometric titration (K) and ethidium bromide replacement (K and K) showed weak interaction in the system fs-DNA-[Ru(bdq)(NO)(tpy)]. Furthermore, fs-DNA-[Ru(bd)(NO)(tpy)] and fs-DNA-[Ru(bd)(NO)(tpy)] system showed higher intercalation constant. Circular dichroism spectra for fs-DNA-[Ru(bd)(NO)(tpy)] and fs-DNA-[Ru(bd)(NO)(tpy)], suggest semi-intercalative accompanied by major groove binding interaction modes. The [Ru(bd)(NO)(tpy)] and [Ru(bd)(NO)(tpy)] inhibit replication of Zika and Chikungunya viruses based in the nitric oxide release under S-nitrosylation reaction with cysteine viral.
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http://dx.doi.org/10.1016/j.niox.2024.04.006 | DOI Listing |
Inorg Chem
September 2025
Institute of Nuclear and New Energy Technology, Tsinghua University, Haidian District, Beijing 100084, China.
The design of multidentate hydrophilic ligands with high binding affinity and selectivity is fundamentally important for efficient metal separation and the development of highly stable radiopharmaceuticals. A widely adopted strategy involves introducing water-solubilizing groups into originally effective lipophilic ligands, aiming to preserve the metal-binding affinity while imparting aqueous solubility. In this work, we demonstrate that such an intuitive solubilization approach can fail if an appropriate hydrogen-bonding network is not established.
View Article and Find Full Text PDFAdv Sci (Weinh)
August 2025
Institute of Nuclear and New Energy Technology, Tsinghua University, Haidian District, Beijing, 100084, China.
Water-soluble actinide-masking ligands are fundamentally important for achieving efficient lanthanide/actinide separation and for the development of water-soluble f-block complexes for bioimaging and radiopharmaceutical applications. However, the underlying design principles remain largely elusive, particularly in achieving a fine balance between ligand water solubility and metal affinity/selectivity. In this study, it is demonstrated that for the well-established phenanthroline diimine ligand framework, topological modifications can preserve water solubility but introduce significant rotational energy barriers.
View Article and Find Full Text PDFWater Res
July 2025
Department of Environmental Analytical Chemistry, Helmholtz Centre for Environmental Research - UFZ, Permoserstrasse 15, 04318 Leipzig, Germany; Institute of Analytical Chemistry, University of Leipzig, Linnéstrasse 3, 04103 Leipzig, Germany. Electronic address:
Para-phenylenediamines (PPDs) are antioxidants added to tires to protect the rubber. They are released from tire and road wear particles (TRWP) but the extent of their aerobic microbial degradation and the transformation products (TPs) formed are not known. Therefore, aerobic microbial degradation of seven tire-related PPDs, parent compounds as well as known transformation products, was studied for up to 28 days.
View Article and Find Full Text PDFACS Catal
July 2025
Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003, United States.
Asymmetric catalysis relies on the design of chiral ligands, but the variety of nitrogen-based ligands remains limited. To address this gap, we have developed a class of -symmetric ,-bidentate ligands, imine-oxazoline (ImOx), derived from amino acids through a four-step synthesis. ImOx features an imine moiety conjugated with a chiral oxazoline ring as a hybrid of α-diimine (ADI) and pyridine oxazoline (PyOx) ligands.
View Article and Find Full Text PDFPhys Chem Chem Phys
July 2025
Center of Excellence in Computational Chemistry, Department of Chemistry, Faculty of Science, Chulalongkorn University, Pathumwan, Bangkok 10330, Thailand.
In this study, we investigated the reaction mechanism of Ni-α-diimine catalysts for ethylene (ET) polymerization using DFT calculations, focusing on structural and electronic factors that govern catalyst performance. Being the most active catalyst, Ni-Me was kept as a reference for analyzing pre-catalyst stability and reaction mechanisms. The first ET insertion, exhibiting the highest coordination free energy () and activation free energy (Δ‡1), is the rate-determining step.
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