Justicia beddomei is a siddha herbal drug having many therapeutic value. Plan of the research application is to catch out the functioning ingredient of Justicia beddomei to bind including ACE by molecular Close method. In tHis application is to catch the efficacy of the lead particle in the Plant Justicia beddomei to bind including core bio functioning amino acid residues, which involve in the enzymatic activity of the Angiotensin -converting enzyme (ACE) that has greater level of important in the management of blood pressure. For tHis application arrengement of Ligand of Justicia beddomei arranged and Translucent metamorphose of the spot protein Human ACE including PDB 1O86 is regained from Protein Data Bank. Based on the sequel of the computational application it was introduce that the bio-functioning blend’s like Anisotine, Orientin, Adhatodine and Vasicoline being in the Plant Justicia beddomei letout remarkable binding opposed to the spot protein Angiotensin converting enzyme by binding including functioning protein molecule being on the functioning location thereby it was decided that these amalgam have assuring anti-hypertensive activity. It was decided that the phyto chemicals being in the plant Justicia beddomei possess important anti-hypertensive activity.