Ciprofloxacin and Azithromycin Antibiotics Interactions with Bilayer Ionic Surfactants: A Molecular Dynamics Study

Document Type

Article

Publication Title

ACS Omega

Abstract

The introduction of pharmaceuticals into aquatic ecosystems can lead to the generation of antibiotic-resistant bacteria. This paper employed molecular dynamics simulations to examine the interactions between cationic/anionic surfactants and two antibiotics or drugs, namely, ciprofloxacin and azithromycin. The analysis focused on many factors to elucidate the mechanism by which the surfactant bilayer molecular structure affects the selected antibiotics. These factors include the tilt angle, rotational angle of the surfactants, electrostatic potential, and charge density along the bilayers. Our molecular-level investigation of the adsorption mechanisms of hydrophobic (azithromycin) and hydrophilic (ciprofloxacin) drugs on the cationic/anionic surfactant bilayer offers a crucial understanding for comprehending the optimal selection of surfactants for effectively separating antibiotics.

First Page

33174

Last Page

33182

DOI

10.1021/acsomega.4c04673

Publication Date

1-1-2024

This document is currently not available here.

Share

COinS