Molecular Basis of Na, K–ATPase Regulation of Diseases: Hormone and FXYD2 Interactions DOI Open Access
Bárbara Fernandes Cordeiro, Carlos Frederico Leite Fontes, José Roberto Meyer‐Fernandes

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(24), P. 13398 - 13398

Published: Dec. 13, 2024

The Na, K–ATPase generates an asymmetric ion gradient that supports multiple cellular functions, including the control of volume, neuronal excitability, secondary ionic transport, and movement molecules like amino acids glucose. intracellular extracellular levels Na+ K+ ions are classical local regulators enzyme’s activity. Additionally, regulation is a complex process occurs at levels, encompassing its total content, subcellular distribution, intrinsic In this context, enzyme serves as regulatory target for hormones, either through direct actions or via signaling cascades triggered by hormone receptors. Notably, FXYDs small transmembrane proteins serve intermediaries linking hormonal to enzymatic various levels. Specifically, members FXYD family, particularly FXYD1 FXYD2, undergo phosphorylation kinases activated receptor signaling, which subsequently influences their modulation This review describes effects cardiotonic steroid hormones such angiotensin II, dopamine, insulin, catecholamines on K–ATPase. Furthermore, highlights implications in diseases hypertension, renal hypomagnesemia, cancer.

Language: Английский

Hydrolysis, Ligand Exchange, and Redox Properties of Vanadium Compounds: Implications of Solution Transformation on Biological, Therapeutic, and Environmental Applications DOI
Rupam Dinda, Eugenio Garribba, Daniele Sanna

et al.

Chemical Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 16, 2025

Vanadium is a transition metal with important industrial, technological, biological, and biomedical applications widespread in the environment living beings. The different reactions that vanadium compounds (VCs) undergo presence of proteins, nucleic acids, lipids metabolites under mild physiological conditions are reviewed. In present naturally or through anthropogenic sources, latter having an environmental impact caused by dispersion VCs atmosphere aquifers. has versatile chemistry interconvertible oxidation states, variable coordination number geometry, ability to form polyoxidovanadates various nuclearity structures. If VC added water-containing it can hydrolysis, ligand-exchange, redox, other types changes, determined speciation vanadium. Importantly, solution likely differ from introduced into system varies concentration. Here, hydrolytic ligand-exchange chemical reactions, influence pH, concentration, salt, specific solutes, biomolecules, on described. One our goals this work highlight need for assessment speciation, so beneficial toxic species might be identified mechanisms action elucidated.

Language: Английский

Citations

4
Optimizing Therapeutics for Intratumoral Cancer Treatments: Antiproliferative Vanadium Complexes in Glioblastoma DOI Open Access
Angie Bates,

Kameron L. Klugh,

Anna O. Galaeva

et al.

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(3), P. 994 - 994

Published: Jan. 24, 2025

Glioblastoma, an aggressive cancer, is difficult to treat due its location, late detection, drug resistance, and poor absorption of chemotherapeutics. Intratumoral administration offers a promising potential treatment alternative with localized delivery minimal systemic toxicity. Vanadium(V) coordination complexes, incorporating Schiff base catecholate ligands, have shown effects as antiproliferative agents tunable efficacy reactivity, stability, steric bulk, hydrophobicity, uptake, toxicity optimized for the intratumoral vehicle. A new series oxovanadium(V) base–catecholate complexes were synthesized characterized using nuclear magnetic resonance (NMR), UV-Vis, infrared spectroscopy mass spectrometry. Stability under physiological conditions was assessed via UV-Vis spectroscopy, activity evaluated in T98G glioblastoma SVG p12 normal glial cells viability assays. The newly [VO(3-tBuHSHED)(TIPCAT)] complex more stable (t1/2 ~ 4.5 h) had strong (IC50 1.5 µM), comparing favorably current lead compound, [VO(HSHED)(DTB)]. structural modifications enhanced bulk through substitution iso-propyl tert-butyl groups. improved properties attributed hindrance associated catecholato well formation non-toxic byproducts upon degradation. emerges candidate therapy by demonstrating stability greater selectivity, which highlights role strategic ligand design developing therapies resistant cancers. In reporting class compounds effective against cells, we describe generally desirable that drugs being developed should have.

Language: Английский

Citations

4
Emerging Topics in Metal Complexes: Pharmacological Activity DOI Open Access
Agnieszka Ścibior, Manuel Aureliano, Juan Llopis

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(9), P. 4982 - 4982

Published: May 3, 2024

This Special Issue (SI), ”Emerging Topics in Metal Complexes: Pharmacological Activity”, includes reports updating our knowledge on metals with multidirectional biological properties and metal-containing compounds/complexes for their potential therapeutic applications, a focus strategies improving pharmacological features [...]

Language: Английский

Citations

7
Hydrazone-flavonol based oxidovanadium(V) complexes: Synthesis, characterization and antihyperglycemic activity of chloro derivative in vivo DOI
Adnan Zahirović,

Muhamed Fočak,

Selma Fetahović

et al.

Journal of Inorganic Biochemistry, Journal Year: 2024, Volume and Issue: 258, P. 112637 - 112637

Published: June 6, 2024

Language: Английский

Citations

6
Guanidinium and spermidinium decavanadates: as small biomimetic models to understand non-covalent interactions between decavanadate and arginine and lysine side chains in proteins DOI Creative Commons

Luis F. Paredes-Pérez,

Ángel Mendoza, Amalia García-García

et al.

Frontiers in Chemical Biology, Journal Year: 2024, Volume and Issue: 3

Published: Aug. 12, 2024

During the last three decades, numerous investigations have been conducted on polyoxidovanadates to treat several illnesses and inhibit enzymes. Numerous decavanadate compounds proposed as potential therapies for Diabetes mellitus, Cancer, Alzheimer’s disease. Only six relevant functional proteins interacting with decavanadate, V 10 , deposited in PDB. These are acid phosphatase, tyrosine kinase, two ecto-nucleoside triphosphate diphosphohydrolases (NTPDases), human transient receptor cation channel (TRPM4), cell cycle protein CksHs1. The interaction sites these mainly consist of Arginine Lysine, side chains binding anion. To get further knowledge regarding non-covalent interactions environments, guanidinium spermidinium decavanadates were synthesized, crystallized, subjected analysis utilizing various techniques, including FTIR, Raman, 51 V-NMR, TGA, X-ray diffraction. DFT calculations employed calculate energy between anion organic counterions. Furthermore, Quantum Theory Atoms Molecules (QTAIM) Non-covalent Interaction-Reduced Density Gradient (NCI-RDG) analyses understand present adducts. Decavanadate can engage electrostatic forces, van der Waals, hydrogen bond spermidinium, shown by their respective energies. Both highly stabilized strong N−H···O weak C−H···O. In addition, cations form stable rings. This study provides new information intermolecular small biomimetic models arginine lysine lateral environments.

Language: Английский

Citations

2
Insights into the Theranostic Activity of Nonoxido VIV: Lysosome-Targeted Anticancer Metallodrugs DOI

Pratikshya Das Pattanayak,

Atanu Banerjee, Gurunath Sahu

et al.

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(41), P. 19418 - 19438

Published: Sept. 28, 2024

Developing new anticancer agents can be useful, with the ability to diagnose and treat cancer worldwide. Previously, we focused on examining effects of nonoxidovanadium(IV) complexes insulin mimetic cytotoxicity activity. In this study, in addition cytotoxic activity, evaluated their bioimaging properties. This study investigates synthesis four stable nonoxido V

Language: Английский

Citations

2
Challenges and Pitfalls of Research Designs involving Magnesium-Based Biomaterials: An Overview DOI Open Access
Nourhan Hassan, Thomas Krieg, Alexander Kopp

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(11), P. 6242 - 6242

Published: June 5, 2024

Magnesium-based biomaterials hold remarkable promise for various clinical applications, offering advantages such as reduced stress-shielding and enhanced bone strengthening vascular remodeling compared to traditional materials. However, ensuring the quality of preclinical research is crucial development these implants. To achieve implant success, an understanding cellular responses post-implantation, proper model selection, good study design are crucial. There several challenges reaching a safe effective translation laboratory findings into practice. The utilization Mg-based biomedical devices eliminates need biomaterial removal surgery post-healing mitigates adverse effects associated with permanent implantation. high corrosion rate implants poses unexpected degradation, structural failure, hydrogen evolution, alkalization, cytotoxicity. biocompatibility degradability materials based on magnesium have been studied by many researchers in vitro; however, evaluations addressing impact material vivo still be improved. Several animal models, including rats, rabbits, dogs, pigs, explored assess potential magnesium-based Moreover, strategies alloying coating identified enhance degradation transform opportunities. This review aims explore Mg across applications within (in vitro) vivo) models.

Language: Английский

Citations

2
Applications of Molecular Docking Studies in SARS-CoV-2 Targeted Drug Discovery and the Gains Achieved through Molecular Docking DOI Creative Commons

Merve Yildirim,

İsmail Çeli̇k

Biomedical engineering, Journal Year: 2024, Volume and Issue: unknown

Published: April 29, 2024

In this chapter, we delve into the pivotal role of molecular docking in realm computational biology and chemistry, focusing specifically on its application drug discovery targeting SARS-CoV-2. Molecular docking, a critical technique, has played significant predicting interactions bindings molecules, particularly concerning SARS-CoV-2’s main protease RNA polymerase. This chapter highlights synergy between virtual screening, emphasizing expedited identification evaluation potential candidates against Through comprehensive discussion, aim to provide nuanced understanding rapid advancements for SARS-CoV-2, accentuating indispensable value tools methods contemporary therapeutic development.

Language: Английский

Citations

1
Protein‐Protein Stabilization in VIVO/8‐Hydroxyquinoline–Lysozyme adduct: A Spectroscopic, Crystallographic, and Computational Study DOI
Eugenio Garribba, Maddalena Paolillo, Giarita Ferraro

et al.

Chemistry - A European Journal, Journal Year: 2024, Volume and Issue: unknown

Published: June 24, 2024

Abstract The binding of the potential drug [V IV O(8‐HQ) 2 ], where 8‐HQ is 8‐hydroxyquinolinato, with hen egg white lysozyme (HEWL) was evaluated through spectroscopic (electron paramagnetic resonance, EPR, and UV‐visible), spectrometric (electrospray ionization‐mass spectrometry, ESI‐MS), crystallographic (X‐ray diffraction, XRD), computational (DFT docking) studies. ESI‐MS indicates interaction O(8‐HQ)(H O)] + (H species HEWL. Room temperature EPR spectra suggest both covalent non‐covalent two different V‐containing fragments. XRD analyses confirm these findings, showing that interacts covalently solvent exposed Asp119, while cis ‐[V non‐covalently Arg128 Lys96 from a symmetry mate. to Asp119 favored by π‐π contact Trp62 H‐bond Asn103 symmetry‐related molecule. Additionally, V O Asp48 other fragments Arg5, Cys6, Glu7 are revealed. Molecular docking that, in absence interactions occurring at protein‐protein interface close Glu35 or Asp52 should be preferred. Such stabilization could more common than what believed up today, least solid state, considered characterization metal‐protein adducts.

Language: Английский

Citations

1
Unexpected in crystallo reactivity of the potential drug bis(maltolato)oxidovanadium(iv) with lysozyme DOI Creative Commons
Maddalena Paolillo, Giarita Ferraro,

Irene Cipollone

et al.

Inorganic Chemistry Frontiers, Journal Year: 2024, Volume and Issue: 11(19), P. 6307 - 6315

Published: Jan. 1, 2024

The structure of the adduct formed by lysozyme with bis(maltolato)oxovanadium( iv ) within crystals grown in NaCl and Na-acetate at pH 4.0 reveals an unexpected reaction product.

Language: Английский

Citations

1