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This study aims to assess Moringa oleifera bioactive compounds as potential inhibitor against the human α-3 NAchR. The 2D structure of bioactive compounds were retrieved from PubChem chemical structure data base. Whereas, the 3D structure of protein was obtained from PDB. After finish protein and ligands preparation, the molecular screening through in silico approach was performed. The last step for this compounds screening was visualization and molecular interaction analysis. Based on the docking simulation, we found several potential bioactive compounds that can properly interact with the α-3 NAchR. In this study, we showed the top three ligands with the greatest energy binding to the α-3 NAchR, i.e. Ellagic acid (-9.0 kcal/mol), Quercetin (8.5 kcal/mol), and Glucosinolates (8.1 kcal/mol). This study suggest that Moringa oleifera bioactive compounds may have potential as α-3 NAchR inhibitor.