GC-MS analysis and in-silico antipsychotic activity of Morinda citrifolia (Indian Noni)

Morinda citrifolia (Noni) has been used for centuries to cure or prevent variety of illnesses by traditional medical practitioners in Hawaii and Polynesia. The aim and objective of the present study is to perform GC-MS analysis of Morinda citrifolia fruit extract and in-silico docking analysis of the phytoconstituents identified in Morinda citrifolia fruit extract against targets for antipsychotic drugs like dopamine receptors (D2 and D3). GC-MS analysis was performed and the phytoconstituents of Morinda citrifolia were retrieved from pubchem compound databases. The standard typical antipsychotic and atypical antipsychotic drugs were obtained from drug bank in .mol format. The 3D protein structures of the targets dopamine receptor D2 (PDB ID: 5AER), dopamine receptor D3 (PDB ID: 3PBL) are obtained from Protein Data Bank. In-silico docking analysis was performed by using Molegro virtual docker (MVD). The phytoconstituents with least MolDock score and hydrogen bond interactions shows maximum affinity for the target. The antipsychotic activity of the phytoconstituents of medicinal plants is analyzed by docking score and binding energy. The phytoconstituents from Morinda citrifolia exhibited the binding pattern to that of the standard drugs exhibiting antipsychotic activity by inhibiting D2 and D3 dopamine receptors.