Non-covalent interactions in biocompatible platforms for drug delivery: Mg2(olsalazine) Metal-Organic Framework with phenylethylamine, dopamine and sertraline

Drug delivery systems can improve the efficacy of therapeutic substances. In this investigation, the biocompatible Mg2(olsalazine) [Mg2(olz)] framework is investigated as a delivery system of phenylethylamine, dopamine and sertraline, substances related to the functioning of the Central Nervous System. Experiments previously reported show that Mg2(olz) encapsulates phenylethylamine and, under physiological conditions, releases the molecules. The hypothesis of this work is that this is possible due to the presence of non-covalent interactions. The non-covalent interactions between Mg2(olz) and phenylethylamine, dopamine and sertraline are analyzed using Quantum Theory of Atoms in Molecules and Non-covalent Interaction Index. It was found that the coordinatively unsaturated metal site of Mg2(olz) is important for the formation of non-covalent interactions. Due to similarity of systems of dopamine and sertraline with that of phenylethylamine, we conclude that Mg2(olz) is also capable to encapsulate and release these two drugs, being a good proposal as a drug delivery system.