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

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...

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Bibliographic Details
Main Authors: Isabel S. Hernandes, Haroldo C. Da Silva, Hélio F. Dos Santos, Eloah P. Ávila, Mauro V. De Almeida, Wagner B. De Almeida
Format: Article
Language:English
Published: The Royal Society 2023-10-01
Series:Royal Society Open Science
Subjects:
azithromycin
molecular dynamics
conformation
nuclear magnetic resonance chemical shifts
density functional theory calculations
Online Access:https://royalsocietypublishing.org/doi/10.1098/rsos.230409

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https://royalsocietypublishing.org/doi/10.1098/rsos.230409

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