Molecule Attachment and Prediction of ADMET Compounds in Cinnamomum burmannii on Orexin Receptor as Anti-insomnia

Abstract

Background and Objectives: Insomnia is a sleep disorder characterized by a person's dissatisfaction with the quantity or quality of sleep. Suvorexant is a sedative and hypnotic drug that has been shown to be useful for the treatment of insomnia and can act more centrally and selectively on the orexin system. However, suvorexant has quite a lot of side effects. According to research, cinnamon has pharmacological benefits, one of which is anti-insomnia. The aimed this study to determine the interaction between the compounds contained in the cinnamon plant and the Orexin receptor with the molecular anchoring method and to determine the prediction of the ADMET properties of cinnamon compounds which have the potential as anti-insomniac. Material and Methods: The research method was in-silico study consisted of validation, bonding of cinnamon compounds and prediction of ADMET properties. Results: The results showed that cinnamon compounds, namely Cinnamic acid and Methylhidroxy calcone, had the best interactions with lower Gibbs bond energy values (ΔG) and inhibition constants (Ki). From the results of the prediction of ADMET properties, the Methylhydroxy calcone compound obtained positive results on the hepatotoxicity parameter and the Cinnamic acid compound obtained negative results, which means that the compound does not have toxic properties. Conclusion: The Cinnamic acid could be used as a new promising anti-insomnia agent. Key words: ADMET, Cinnamic acid, Cinnamomum burmanii, Insomnia, Orexin