02224nas a2200217 4500008004100000245011800041210006900159260001400228300001200242490000700254520155700261653001001818653001801828653002401846653001301870653001201883100002301895700002601918700002201944856004001966 2022 eng d00aMolecule Attachment and Prediction of ADMET Compounds in Cinnamomum burmannii on Orexin Receptor as Anti-insomnia0 aMolecule Attachment and Prediction of ADMET Compounds in Cinnamo cJune 2022 a576-5830 v143 a

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.

10aADMET10aCinnamic acid10aCinnamomum burmanii10aInsomnia10aOrexin.1 aMustarichie, Resmi1 aSaptarini, Nyi, Mekar1 aMegantara, Sandra uhttps://www.phcogj.com/article/1804