In-silico Docking and ADMET: Recent Innovations of Carvone

Abstract

For the almost 500 decades, naturally occurring plant products always showed a narrative role to society for their effectiveness against several diseases. Carvone is a mono-terpenoid which is obtained as an essential oil obtained from Anethum graveolens (dill) and Carum carvi (caraway) oils, S(+) enantiomer and the (-R) enantiomer of carvone as a primary constituent of Mentha spicata (spearmint) oil also found in Calamintha officinalis (calamint) oil. As Carvone has shown a very less toxic effect. S(+) Carvone also acts as an anti-epileptic agent, (S &R) Carvone has shown much more potent activity when compared to (R) species of carvone. By performing In-silico docking studies of S(+) Carvone it has been observed that it is quite safe and potentially effective as an anticonvulsant agent, antispasmodic agent, antifungal agent, also as a cardiovascular agent etc. Carvone has a high permeability to GI absorption and also it follows the Lipinski rule (0 violations). Although, Carvone has less toxicity while crossing the blood-brain barrier. Docking studies of carvone is suggesting that it can be used for many advancements of the drug to achieve potent results in different pharmacological aspects.