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Detailed chemical characterization and molecular modeling of serotonin inclusion complex with unmodified β-cyclodextrin.

ABSTRACT: In this study, we analyzed the capability of unmodified β-cyclodextrin (β-CD) to form the stable complex with serotonin hydrochloride (SER), as an important neurotransmitter in the brain. The stable β-CD: SER formulation was prepared and characterized using spectroscopic, thermal, molecular docking, and molecular dynamics techniques, revealing the phenomenon of H-bond formations and the domination of hydrophobic forces between the host molecule and its guest via the amine group of SER and the narrow side of β-CD. The complexation mechanism was mainly enthalpy-driven, representing the improvement in SER photo-stability. Overall, the results highlighted the possibility to use this formulation with improved stability in clinical practice for treatment and prevention of various depressive conditions, such as anxiety disorders.

SUBMITTER: Fateminasab F

PROVIDER: S-EPMC6458498 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Detailed chemical characterization and molecular modeling of serotonin inclusion complex with unmodified β-cyclodextrin.

Fateminasab F F Bordbar A K AK Shityakov S S

Heliyon 20190409 4

In this study, we analyzed the capability of unmodified β-cyclodextrin (β-CD) to form the stable complex with serotonin hydrochloride (SER), as an important neurotransmitter in the brain. The stable β-CD: SER formulation was prepared and characterized using spectroscopic, thermal, molecular docking, and molecular dynamics techniques, revealing the phenomenon of H-bond formations and the domination of hydrophobic forces between the host molecule and its guest via the amine group of SER and the na ...[more]

PMID: 31008382

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