Molecular docking and dynamics analysis of halogenated imidazole chalcone as anticancer compounds

Cancer is one of the three biggest causes death in world. The development new drugs against this disease a serious study that must be carried out order to reduce mortality and extend life span sufferers. aim research was develop anti-cancer drug based on halogenated imidazole chalcones have been conducted. A 18 chalcone compound designed performed molecular docking. Potential compounds docking are then dynamics. results show potential bond affinity specific interactions B5, B6, C5, C6. Analysis dynamics result parameters root mean standard deviation (RMSD) complex, square fluctuation (RMSF), Radius Gyration, Protein-ligand hydrogen bonding, complex stability with generalized born surface area (GBSA) method, where B5 B6.