Oil was extracted from Frankincense (Boswellia Sacra) by soxhelet extraction method and various bioactive compounds were identified using gas chromatography (GC).These compounds can be developed as active pharmacophore. The present study involves extraction and identification of bioactive compounds and their invitro study on the interaction these compounds to target proteins. Various biological databases like Pubchem, Protein Data Bank and softwares like Argus Lab, Rasmol were used to retrieve and analyse the structural and molecular interactions of bioactive compounds from Frankinsense oil with receptor proteins. Target protein structure were retrieved from Protein data bank ligand structures were downloaded from Pubchem which was visualized using Rasmol Software. Protein ligand interaction was studied using Argus Lab software by docking simulations and various docking poses were analysed. The energy values of docking conformations were analyzed for obtaining best docking pose & score.