Potential Serotonin 5-HT2A Receptor Agonist of Psychoactive Components of <i>Silene undulata</i> Aiton: LC-MS/MS, ADMET, and Molecular Docking Studies.

Abstract

<h4>Background</h4>Silene undulata is historically used for inducing vivid and prophetic lucid dreams, but limited information exists on its phytochemical composition and potential pharmacological properties.<h4>Objective</h4>This study aimed to investigate the phytochemical composition of <i>S. undulata</i> through LC-MS/MS analysis and explore its potential serotonergic activity, which could support and confirm the traditional use of <i>S. undulata</i> as a dream-inducing plant.<h4>Methods</h4>LC-MS/MS analysis was conducted on <i>S. undulata</i> extract, identifying 51 phytochemicals, including norharman, harmalol, harmaline, harmine, and ibogaine alkaloids. ADMET and Molecular docking investigations were employed to assess the serotonergic potential of these compounds.<h4>Results</h4>The analysis revealed the presence of <i>β</i>-carboline alkaloids, such as norharman, harmalol, harmaline, harmine, and ibogaine, within <i>S. undulata</i> extract. ADMET analysis showed that these compounds have a favourable pharmacokinetic properties. In addition, molecular docking investigations showed that harmaline (-8.90 Kcal/mol), harmalol (-8.56 Kcal/mol), and ibogaine (-8.75 Kcal/mol) exhibited binding affinities comparable to the control molecule, LSD (-9.14 Kcal/mol), indicating potential agonistic activity at serotonin 5-HT2A receptor.<h4>Conclusion</h4>These findings provide insights into the potential therapeutic benefits of <i>S. undulata</i>, supporting its traditional use as a psychoactive plant. This study investigated the chemical constituents and potential serotonergic agonist activity of <i>S. undulata</i> for the first time. While promising, further research is necessary to uncover additional medicinal properties associated with the identified phytochemical components.

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