Cycloxygenase-2 enzyme is expressed in different types of cancer it contributes to carcinogenesis and further which causes the formation of tumor. A new series of Benzothiazole N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzo[d]thiazol-2-amine are designed using Molecular docking technique that inhibits Cycloxygenase-2 enzyme. The PDB: 5IKR is imported from the RCSB PDB data base. Benzothiazole derivatives are docked into the COX-2 binding receptor using Molegro Virtual Docker software. The interaction of hydrogen bond, Moldock score and Rerank-score analysis was done based on the docking results. The docked molecule provides the estimation of inhibitory activities. From the docked Benzothiazole derivatives Bdz 4, 14, 15 and 17 exhibited potent activity into the COX-2 receptor site.
Key Words: Benzothiazoles, Molecular docking, ADME Study, COX-2 inhibitors, Anticancer activity.