ABSTRACT

The enzyme histidine decarboxylase catalyses the conversion of amino acid histidine to histamine. Hypersensitivity is an undesirable reaction produced by the host immune system in response to certain environmental agents. Histamine acts as a mediator and brings about allergic responses due to mast cell degranulation. Generally, antihistamines are used to treat allergic reactions and hypersensitivity. But antihistamines have various side effects associated with it. Therefore, the aim of the study was to find an alternative to these antihistamines by inhibiting histidine decarboxylase. The flavonoids present in spice extracts are responsible for this enzyme inhibition. Molecular docking was performed with the isolated flavonoids to predict its interaction with the target, i.e., histidine decarboxylase using the web-based software 1-Click docking. It is necessary to have a good binding affinity for the ligand to form a stable complex with its target in physiological conditions. The greater the negative value, the higher is the binding of the ligand to its target. The highest binding efficiency of Gallic acid, Ellagic acid, Kaempferol and Quercetin was found to be -5.8, -7.9, - 7.3 and -7.2 respectively. Ellagic acid and Kaempferol proved to be the most promising molecules in comparison to all the other isolated flavonoids. Keywords: Molecular docking, histidine decarboxylase, gallic acid, ellagic acid, quercetin, kaempferol
Publication date: 01/10/2020

https://ijbpas.com/pdf/2020/October/MS_IJBPAS_2020_5208.pdf

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https://doi.org/10.31032/IJBPAS/2020/9.10.5208