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The cure for Alzheimer's disease involves searching for candidate compounds that can act as inhibitors for Acetylcholinesterase (AChE) enzyme. Regional cerebral blood flow can be increased in patients with Alzheimer’s disease by Acetylcholinesterase inhibitors. In this regard, Tetraphenylporphinesulfonate (TPPS), 5,10,15,20-Tetrakis (4-sulfonatophenyl) porphyrinato Iron(III) Chloride (FeTPPS) and 5,10,15,20-Tetrakis (4-sulfonatophenyl) porphyrinatoIron(III) nitrosyl Chloride (FeNOTPPS) were investigated as candidate compounds for inhibition of Acteylcholinesterase of Drosophila melanogaster (DmAChE) by use of Molecular Docking. FeNOTPPS was found to form the most stable complex with DmAChE.