Exploring The Diverse Therapeutic Potentials of Synthetic Analogues of Keto-terpenoids (+) Carvone: A Future Scaffold.

Snigdha Srivastava,Reema Sinha,Rahul Kaushik, Rajan Kumar Kurmi

Central nervous system agents in medicinal chemistry(2024)

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摘要
BACKGROUND:Carvone is a monoterpene ketone in mint plants and some Mediterranean spices. In Carvone, chemical compounds occur in two enantiomers, S (+) carvone and R (-) carvone. These two enantiomeric forms of carvone are identical in terms of their physical and chemical characteristics and only differ in terms of their rotatory power based on their smell. Caraway has also been utilized to treat newborns' flatulent colic and to treat adults' anxious cardiac- gastric symptoms, spasmodic gastrointestinal complaints, flatulence, irritated stomach, indigestion, lack of appetite, and dyspepsia. It was also used as a diuretic, sedative, analgesic, and aphrodisiac, to cure headaches and morning sickness, to enhance liver function, to treat bronchopulmonary problems, to treat coughs, and also used as an astringent. Lumbago and rheumatism are both treated with caraway seed vapors. Carum carvi seeds consist of 1-9% constituents including more than 30 different chemicals kind in its essential oils. There were two primary components: carvone and limonene. 7,12-dimethylbenzeneanthracene DMBA-induced skin carcinogenesis was used to assess the chemo-preventive effectiveness of D-carvone (at 10, 20, and 30 mg/kg b.w.) in vivo. Carvone was researched for its capacity to decrease the amount of melanin as well as for its beneficial effects mediated by the cAMP pathway in melanoma cells. METHODS:By performing In-silico docking via AutoDock4.0 and ADMET study by using SwissADME as part of the aforementioned facts, it was discovered that S(+)carvone is a promising moiety with no toxicity and it also penetrates the blood-brain barrier. The permeability of the BBB additive is predicted by boiled egg, and this prediction follows Lipinski RO5. RESULT:The acquired results with a strong binding score have revealed that S(+) carvone is a promising moiety after docking with the appropriate receptor of anti-epileptic, anti-cancer, and anti-oxidant have a binding energy of -7.05kcal/mol, -4.62kcal/mol, -4.13kcal/mol, respectively. The presented enantiomers of the carvone as a scaffold for its anti-epileptic activities will be beneficial for future research. CONCLUSION:S(+) carvone has a CNS depressive impact and possesses an anti-convulsant activity. According to the research parameters on both the enantiomers, R&S can block GABA binding sites. Therefore, it suggests that S(+) carvone may be the new moiety for anticonvulsant activity. It has been observed by various studies that the S(+) carvone is more powerful than R(-) carvone. Therefore, it can be concluded that S(+) Carvone can serve as a scaffold for anticonvulsant activity.
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