Binding Thermodynamics of 1,3-bis(((E-1H-pyrrol-2-yl) methylene) amino) propan-2-ol palladium(II) with HSA and Its Intercalative Behaviour in ctDNA

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: 1334, P. 141880 - 141880

Published: Feb. 26, 2025

Language: Английский

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Molecular Basis for the Selectivity of DHA and EPA in Sudlow’s Drug Binding Sites in Human Serum Albumin with the Combined Use of NMR and Docking Calculations

Molecules, Journal Year: 2023, Volume and Issue: 28(9), P. 3724 - 3724

Published: April 26, 2023

Medium- and long-chain saturated unsaturated free fatty acids (FFAs) are known to bind human serum albumin (HSA), the main plasma carrier protein. Atomic-level structural data regarding binding mode in Sudlow’s sites I (FA7) II (FA4, FA3) of polyunsaturated ω-3 docosahexaenoic acid (DHA) eicosapentaenoic (EPA), however, largely unknown. Herein, we report combined use saturation transfer difference (STD) Interligand NOEs for Pharmacophore Mapping (INPHARMA) NMR techniques molecular docking calculations investigate DHA EPA Ι ΙΙ HSA. The significant number interligand between drugs warfarin ibuprofen, which stereotypical ligands II, respectively, were interpreted terms competitive modes presence two orientations at FA7 FA4. exceptional flexibility formation strongly folded motives key properties HSA–PUFA complexes.

Language: Английский

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Implications of Protein Interaction in the Speciation of Potential V^IVO–Pyridinone Drugs

Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 62(21), P. 8407 - 8417

Published: May 17, 2023

Vanadium complexes (VCs) are promising agents for the treatment, among others, of diabetes and cancer. The development vanadium-based drugs is mainly limited by a scarce knowledge active species in target organs, which often determined interaction VCs with biological macromolecules like proteins. Here, we have studied binding [VIVO(empp)2] (where Hempp 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone), an antidiabetic anticancer VC, model protein hen egg white lysozyme (HEWL) electrospray ionization-mass spectrometry (ESI-MS), electron paramagnetic resonance (EPR), X-ray crystallography. ESI-MS EPR techniques reveal that, aqueous solution, both [VIVO(empp)(H2O)]+, derived from first one upon loss empp(-) ligand, interact HEWL. Crystallographic data, collected under different experimental conditions, show covalent [VIVO(empp)(H2O)]+ to side chain Asp48, noncovalent cis-[VIVO(empp)2(H2O)], [VIVO(empp)(H2O)2]+, unusual trinuclear oxidovanadium(V) complex, [VV3O6(empp)3(H2O)], accessible sites on surface. possibility strength various favor formation adducts multiple vanadium moieties, allowing transport blood cellular fluids more than metal-containing possible amplification effects.

Language: Английский

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Albumin as a functional carrier enhances solubilization, photodynamic and photothermal antibacterial therapy of curcumin

International Journal of Biological Macromolecules, Journal Year: 2025, Volume and Issue: 303, P. 140759 - 140759

Published: Feb. 6, 2025

Language: Английский

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Instigating Visible Light Inspired DNA Impairment by ROS Harvesting Ir(III)‐Cyclometallated Imidazophenanthroline Complexes Against MDA‐MB‐231 Cells

European Journal of Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 18, 2025

Abstract Difficulties to abate the vehemence of deleterious triple‐negative breast cancer (TNBC) is an ardent issue in current context anticancer research due lack a selective treatment modality. To address this issue, herein we have endeavored establish imidazophenanthroline‐based Ir(III)‐cyclometallated heteroleptic complexes, suited for one‐photon photodynamic therapy (OP‐PDT) under irradiation visible light (400–700 nm) possessing long‐lived excited triplet state and significant photostability. Among three synthesized [ L1Ir ], L2Ir L3Ir complex ] has been recognized as most competent exhibit phototoxicity (IC 50 =3.8 μ M; PI c =78.94) MDA‐MB‐231 cells. The complexes arisen production reactive singlet oxygen ( 1 O 2 ) following type‐II pathway (Φ s =0.26). Also, shown proficiency oxidation reduced nicotinamide adenine dinucleotide (NADH) (TOF=4.35 h −1 indicating possibility species (O ⋅ − , ⋅OH) generation through type‐I upon irradiation. Along with this, intracellular glutathione (GSH) depletion capabilities endued unarm TNBC cells front profuse amount ROS instigating programmed cell death (PCD) substantial DNA damage.

Language: Английский

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Inhibition of Thioredoxin-Reductase by Auranofin as a Pro-Oxidant Anticancer Strategy for Glioblastoma: In Vitro and In Vivo Studies

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(5), P. 2084 - 2084

Published: Feb. 27, 2025

Reactive oxygen species (ROS) play a key role in cancer progression and antitumor therapy. Glioblastoma is highly heterogeneous tumor with different cell populations exhibiting various redox statuses. Elevated ROS levels cells promote growth simultaneously make them more sensitive to anticancer drugs, but further elevation leads death apoptosis. Meanwhile, subsets of cells, such glioblastoma stem (GSC) or the microenvironment (TME), demonstrate adaptive mechanisms excessive production by developing effective antioxidant systems as glutathione- thioredoxin-dependent. GSCs higher chemoresistance lower than other glioma while TME create pro-oxidative environment have immunosuppressive effects. Both subpopulations become an attractive target for therapies. Increased expression thioredoxin reductase (TrxR) often associated poor patient survival. Various TrxR inhibitors been investigated potential therapies, including nitrosoureas, flavonoids metallic complexes. Gold derivatives are irreversible TrxR. Among them, auranofin (AF), selective inhibitor, has proven its effectiveness drug treatment rheumatoid arthritis efficacy agent demonstrated preclinical studies vitro vivo. However, clinical application AF could be challenging due low solubility insufficient delivery glioblastoma. Different strategies hydrophobic drugs used increase concentration brain. Combining therapeutic approaches that affect status new strategy treating brain diseases.

Language: Английский

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Cytotoxicity and Binding to DNA, Lysozyme, Ribonuclease A, and Human Serum Albumin of the Diiodido Analog of Picoplatin

Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: May 1, 2025

Here we investigated cytotoxicity and DNA protein binding of an iodido analog picoplatin, the cis-ammine-diiodido(2-methylpyridine)platinum(II) complex (I-picoplatin). I-picoplatin (IC50 = 3.7-12.4 μM) outperforms picoplatin 11.8-22.6 in human cancer cell lines used shows a greater ability to overcome cisplatin resistance A2780 ovarian cells than does picoplatin. also induces different cycle changes (reduced S-phase fraction increase G2/M phase arrest) HeLa cervical carcinoma compared both cisplatin. Binding metal compound model systems was by ethidium bromide displacement assay circular dichroism. Its reactivity with lysozyme (HEWL) pancreatic RNase A studied X-ray diffraction mass spectrometry experiments. binds double helix is able retain 2-methylpyridine ligand at least one two ligands when bound proteins. Various Pt-containing moieties, including based on isomerized structure I-picoplatin, coordinate His Met residues. low-resolution I-picoplatin/human serum albumin (HSA) adduct has been solved. The side chains His146, Met289, Met329 are primary sites moieties HSA.

Language: Английский

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Assembly and Function of Multidimensional Gold Nanostructures Based on Functional Protein Templates

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 15, 2025

Abstract The unique plasmonic resonance properties, surface‐enhanced catalytic efficiency, and exceptional chemical inertness of gold nanoparticles (AuNPs) make them highly promising for a wide range interdisciplinary applications. A critical factor in their functional utility is the precise spatial organization AuNPs, where controlled assembly enhances emergent properties—such as collective plasmon coupling sub‐wavelength light manipulation, amplified hot‐spot generation, programmable mechanical responsiveness—that are unattainable isolated particles. Despite these advantages, achieving architectural control over AuNPs remains significant challenge. Multidimensional protein templates offer compelling solution, exploiting stereochemical specificity to direct AuNP or Au 3+ reduction into nanostructures (AuNSs) with tunable dimensionality—1D nanowires, 2D arrays, 3D crystals. This review systematically assesses recent advancements current state AuNSs directed by templates, encompassing strong bond‐like, relatively weak, noncovalent interactions, latest strategies that facilitate formation multidimensional AuNSs. Additionally, properties applications sensing, catalysis, solar cells, biofuel bioimaging, tissue engineering discussed. Finally, key challenges future opportunities—including assembly, environmental stability, manufacturing scalability, integration theory‐driven research paradigms—are

Language: Английский

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Comparative investigation on interaction mechanism and native conformation of human serum albumin with organometallic iridium(III) complexes via spectroscopic and electrochemical approaches

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1291, P. 136017 - 136017

Published: June 15, 2023

Language: Английский

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Fabrication of D-α-tocopheryl polyethylene glycol 1000 succinates and human serum albumin conjugated chitosan nanoparticles of bosutinib for colon targeting application; in vitro-in vivo investigation

International Journal of Biological Macromolecules, Journal Year: 2023, Volume and Issue: 253, P. 127531 - 127531

Published: Oct. 18, 2023

Language: Английский

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