Activity of clove and feverfew constituents towards toothache: in silico answer

الملخص EN

Clove and Feverfew are medicinal herbs in various applications screened in vitro and in vivo.

BioClove activity is recognizable in toothache, antispasmodic, capscaicin agonist, and join pain medications.

Eugenol (E) as mainly bio-Clove compound; also found in feverfew; is the active player in ganglionar cell through enhancement of Calcium –Chloride channel.

Both Clove and Feverfew plants contain many bioactives play remarkable roles as medicinal constituents.

In dental medication, it is important to specify toxicity of any chemical material and its role on human organs through inhibition, enhancement, metabolism, absorption, and other biological processes.

In this study, computational online websites:https://tox-new.charite.de/protoxII/, http://biosig.unimelb.edu.au/pkcsm/, and http://virtualtaste.charite.de were applied to predicate many effective properties as a first try in Iraqi studies especially in dental subject.

Toxicity class and LD50 predications of Clove and Feverfew bioactives are important characters in related medications.

In this paper, online predications showed that Clove and Feverfew constituents were non- fatal class with an acceptable LD50 as good indication of safety intake individually or in mixture state under controlled quantities.

These and other in Silico results in this study ensure using these bioactives in oral and skin treatment.

Rhamnetin (R) and Tanetin (T) in Clove and Artecanin (AN) in Feverfew had the lowest toxicological characters.

This foundation and other calculations achieved as Quantitative Structural Activity Relationship - Adsorption, Distribution, Metabolism, Excretion, and Toxicity QSAR -ADMET characters confirmed non- inhibition predications of hERG I, CYP2C19, CYP2C9, CYP2D6, and CYP3A4 towards using Clove as medicinal type with limited cautions of side effects.

Primary indications were obtained to use Feverfew bioactives with higher limited cautions compared to Clove.

Also, taste predication suggests highly sour presence so oral intake is in low concentration to avoid unlikely savour.

In conclusion, these bioactives under test can be taken as a dental medication or others individually or as an extracted mixture but in limited concentration and time of repeating.

Also, further in vitro and in vivo studies particularly in dental field is necessary to determine its ADMET with covering all studying factors.