Cargando…

Quantum chemical investigation of predominant conformation of the antibiotic azithromycin in water and DMSO solutions: thermodynamic and NMR analysis

Azithromycin (AZM) is a macrolide-type antibiotic used to prevent and treat serious infections (mycobacteria or MAC) that significantly inhibit bacterial growth. Knowledge of the predominant conformation in solution is of fundamental importance for advancing our understanding of the intermolecular i...

Descripción completa

Detalles Bibliográficos
Autores principales:	Hernandes, Isabel S., Da Silva, Haroldo C., Dos Santos, Hélio F., Ávila, Eloah P., De Almeida, Mauro V., De Almeida, Wagner B.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10565400/ https://www.ncbi.nlm.nih.gov/pubmed/37830015 http://dx.doi.org/10.1098/rsos.230409

Ejemplares similares

Quantum Chemical Investigation of the Interaction of Thalidomide Monomeric, Dimeric, Trimeric, and Tetrameric Forms with Guanine DNA Nucleotide Basis in DMSO and Water Solution: A Thermodynamic and NMR Spectroscopy Analysis
por: Da Silva, Haroldo C., et al.
Publicado: (2023)

Determination of Anticancer Zn(II)–Rutin Complex Structures in Solution through Density Functional Theory Calculations of (1)H NMR and UV–VIS Spectra
por: Da Silva, Haroldo C., et al.
Publicado: (2020)

Protein Conformation and Supercharging with DMSO from Aqueous Solution
por: Sterling, Harry J., et al.
Publicado: (2011)

Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of (1)H NMR Chemical Shifts
por: De Souza, Leonardo A., et al.
Publicado: (2018)

Solubility and Thermodynamic Analysis of Isotretinoin in Different (DMSO + Water) Mixtures
por: Shakeel, Faiyaz, et al.
Publicado: (2023)

A Schmidt Decomposition Approach to Quantum Thermodynamics
por: Malavazi, André Hernandes Alves, et al.
Publicado: (2022)

Determining the Predominant Conformations of Mortiamides A–D in Solution Using NMR Data and Molecular Modeling Tools
por: Franca, Tanos C. C., et al.
Publicado: (2023)

Tuning the (1)H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat](+)-Based Systems Mixed with DMSO
por: Cordeiro, Rui, et al.
Publicado: (2021)

Weak Interactions in Dimethyl Sulfoxide (DMSO)–Tertiary Amide Solutions: The Versatility of DMSO as a Solvent
por: Di Mino, Camilla, et al.
Publicado: (2023)

Microwave Sensor for the Determination of DMSO Concentration in Water–DMSO Binary Mixture
por: Harnsoongnoen, Supakorn, et al.
Publicado: (2023)

Conformational Preferences of N,N-Dimethylsuccinamate as a Function of Alkali and Alkaline Earth Metal Salts: Experimental Studies in DMSO and Water As Determined by (1)H NMR Spectroscopy
por: Lai, Holden W. H., et al.
Publicado: (2014)

Quantum thermodynamics: an introduction to the thermodynamics of quantum information
por: Deffner, Sebastian, et al.
Publicado: (2019)

Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop
por: Oxenfarth, Andreas, et al.
Publicado: (2023)

In-Cell NMR of Intact Mammalian Cells Preserved with the Cryoprotectants DMSO and Glycerol Have Similar DNP Performance
por: Xiao, Yiling, et al.
Publicado: (2022)

DMSO-Quenched H/D-Exchange 2D NMR Spectroscopy and Its Applications in Protein Science †
por: Kuwajima, Kunihiro, et al.
Publicado: (2022)

(1)H and (195)Pt NMR prediction for inclusion compounds formed by cisplatin and oxidized carbon nanostructures
por: De Souza, Leonardo A., et al.
Publicado: (2020)

First Iridium(IV) Chloride–Dimethyl Sulfoxide Complex [H(dmso)(2)][IrCl(5)(dmso-κO)]: Synthesis and Structure along with Novel Polymorph Modifications of [H(dmso)(2)][trans-IrCl(4)(dmso-κS)(2)] and [H(dmso)][trans-IrCl(4)(dmso-κS)(2)]
por: Rudnitskaya, Olga V., et al.
Publicado: (2023)

Dimethyl Sulfoxide (DMSO) Decreases Cell Proliferation and TNF-α, IFN-γ, and IL-2 Cytokines Production in Cultures of Peripheral Blood Lymphocytes
por: de Abreu Costa, Lucas, et al.
Publicado: (2017)

Microstructural free volume and dynamics of cryoprotective DMSO–water mixtures at low DMSO concentration
por: Čechová, Katarína, et al.
Publicado: (2019)

Solution NMR methods for structural and thermodynamic investigation of nanoparticle adsorption equilibria
por: An, Yeongseo, et al.
Publicado: (2022)

The Persecuted Drug. The Story of DMSO
por: McGuire, Joseph
Publicado: (1975)

DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
por: Godlewska, Julia, et al.
Publicado: (2022)

Quantum Thermodynamics: Emergence of Thermodynamic Behavior Within Composite Quantum Systems
por: Gemmer, Jochen, et al.
Publicado: (2009)

Quantum Thermodynamics: Emergence of Thermodynamic Behavior Within Composite Quantum Systems
por: Gemmer, J, et al.
Publicado: (2004)

Minute Additions of DMSO Affect Protein Dynamics Measurements by NMR Relaxation Experiments through Significant Changes in Solvent Viscosity
por: Wallerstein, Johan, et al.
Publicado: (2018)

DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study
por: Czajlik, András, et al.
Publicado: (2023)

Solution NMR of Nanoparticles in Serum: Protein Competition Influences Binding Thermodynamics and Kinetics
por: Xu, Joanna Xiuzhu, et al.
Publicado: (2021)

Effect of DMSO on lifespan and physiology in C. elegans : Implications for use of DMSO as a solvent for compound delivery
por: AlOkda, Abdelrahman, et al.
Publicado: (2022)

Thermodynamic architecture and conformational plasticity of GPCRs
por: Anantakrishnan, Sathvik, et al.
Publicado: (2023)

Topical Drug Delivery of Concentrated Cabazitaxel in an α‐Tocopherol and DMSO Solution
por: Sun, Boyang, et al.
Publicado: (2023)

DMSO modulates the pathway of apoptosis triggering
por: Banič, Blaž, et al.
Publicado: (2011)

Towards a Molecular Understanding of Cation‐Anion Interactions and Self‐aggregation of Adeninate Salts in DMSO by NMR and UV Spectroscopy and Crystallography
por: Buyens, Dominique M. S., et al.
Publicado: (2021)

Hydrogenation of CO(2) to Formic Acid with a Highly Active Ruthenium Acriphos Complex in DMSO and DMSO/Water
por: Rohmann, Kai, et al.
Publicado: (2016)

Dissolution of Cellulose in Ionic Liquid–DMSO Mixtures: Roles of DMSO/IL Ratio and the Cation Alkyl Chain Length
por: Ren, Fei, et al.
Publicado: (2021)

Intracluster ligand rearrangement: an NMR-based thermodynamic study
por: Rosa-Gastaldo, Daniele, et al.
Publicado: (2023)

Quantum simulation of thermodynamics in an integrated quantum photonic processor
por: Somhorst, F. H. B., et al.
Publicado: (2023)

Characterization of the Fe(III)-Tiron System in Solution through an Integrated Approach Combining NMR Relaxometric, Thermodynamic, Kinetic, and Computational Data
por: Nucera, Alessandro, et al.
Publicado: (2023)

Thermodynamics of the Ramsey Zone
por: de Assis, Rogério Jorge, et al.
Publicado: (2023)

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization
por: Kamenik, Anna S., et al.
Publicado: (2018)

Thermodynamics with quantum statistical illustrations,
por: Landsberg, Peter Theodore
Publicado: (1961)

Cannot write session to /tmp/vufind_sessions/sess_kbkaaoajhcls014tkj0vhv7afc