The Effect of Structural Modification on the Blood Brain Barrier Permeation Properties of Allicin

Allicin is found in nursery onion. Allicin is isolated from garlic (Allium sativum). Nutriceutical allicin is an organice compound gotten from garlic. It is also sourced from onions, and different species in the family Alliaceae. It was first isolated and examined in the research facility by Chester J. Cavallito in 1944. This colourless fluid has a distinctively pungent smell. This compound shows antibacterial and anti-fungal properties. Allicin is additionally the garlic's resistance mechanism against assaults by pests. In this investigation, we considered the impact of the substitution of a terminal methyl group of allicin with hydroxyl group. The 2D structure of Allicin and its analogue were designed by utilizing the ChemAxon programming and spared as mrv files. The mrv file were changed over into SMILES strings utilizing the OpenBabel programming and pharmacokinetic parameters were predicted by using the SwissADME server. Results from the investigation demonstrated that the basic change directed at the terminal methyl group of allicin converted into a non neuroactive compound with no capacity to cross the blood brain barrier.