A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations

The affinity of the polyether ionophore salinomycin to bind IA/IB metal ions was accessed using the Gibbs free energy of the competition reaction between SalNa (taken as a reference) and its rival ions: [M<sup>+</sup>-solution] + [SalNa] → [SalM] + [Na<sup>+</sup>-solution] (...

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Bibliographic Details
Main Authors: Todor Dudev, Diana Cheshmedzhieva, Peter Dorkov, Ivayla Pantcheva
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/27/2/532