Published Paper Details:

Abstract Allergy describes a constellation of clinical diseases that affect up to 30% of the world�s population. The underlying pathophysiology involves immunoregulatory dysfunctions similar to those noted in highly stressed populations. Histamine is a major mediator in allergic reactions and the histamine H1 receptor is responsible for many of the symptoms of allergic reactions such as rhinorrhoea, contraction of bronchial and gastrointestinal smooth muscle, and many forms of itch. H1 receptor antagonists are used extensively for the treatment of allergic disorders to the extent that "anti-histamines" would be universally recognized as a treatment for hayfever, for example, but not for asthma. This work aims to find the binding sites between the phytochemicals from coleus barbatus and the human histamine h1 receptor protein. The protein 3D structure is retrieved from the PDB database. The active sites of the histamine h1 protein are derived from Castp. Binding molecules or ligands are derived from the literature and phytochemical databases. From PubChem, the 2D structures of the ligands are taken. Molecular docking is done by swissdock server and the final ADMET studies are done with the help of SwissADME. It is observed that alpha-ionone shows the best docking result among all the phytochemicals and also obeys the Lipinski rule of 5 and ADMET.