In silico Molecular docking of Luteolin from Momordica charantia for dementia in Alzheimer's disease

Objective: In the present study, luteolin was isolated from Momordica charantia and characterized by IR and NMR spectroscopy, undergone in silico docking to study its anti-Alzheimer's role. In silico molecular docking is a computational system employed to predict the interaction vitality between two particles and the best introduction of ligand that shapes a complex with general least vitality. Methods: In this Protein Ligand Docking, we have used HEX 8.0.0 as a Docking Software. The receptors (PDB ID: 4PQE, 1P0I, 5O3L, 1J1C, 3NYJ, 2FJZ) were retrieved from the RCSB Protein Data Bank (PDB) Database while the ligand structure was retrieved as mol format from ChEBI database and it was converted as.pdb format using Chimera 1.12 and docking was done according to the specified parameters. Results: The molecular docking process for the luteolin was performed with the receptors and the E-value was determined. Further, the result of the binding site of ligand with the target proteins was interpreted by using Chimera 1.12 software. Conclusion: Luteolin was proved to have good affinity for target protein and it is having multitarget activity that is responsible for AD.