Spectroscopic (FT-IR, FT-Raman, UV, NMR, NLO) investigation, molecular docking and molecular simulation dynamics on 1-Methyl-3-Phenylpiperazine

Diagram (A) depicts the active site of the protein 2J3X. The binding site is displayed through pink dots. Diagram (B) depicts the ligand, 1-Methyl-3-Phenylpiperazine, embedded in the active site of the protein.169