Author(s): G. Shalini, P. Ravikumar and M. Jeyam
The aim of the present study is to find the effectiveness of reported phytocompounds from Coccinia grandis fruits against Alzheimer's disease. Acetylcholinesterase is an important target in the treatment of Alzheimer's disease and it was taken as a receptor for this study. The reported phytocompounds were taken as ligand molecules and the 3D structure of human acetylcholinesterase was retrieved from PDB database. The 3D structure of synthetic drug and reported phytocompounds were obtained from Pub Chem database. Docking studies were performed using Glide (a Schrodinger module). From the results, it was observed that the phytocompounds β-Sitosterol (-8.70 Kcal/mol), Pectin (-7.82 Kcal/mol), Retinol (-7.24 Kcal/mol) and Taraxerone (-6.40 Kcal/mol) had better glide score than the synthetic drug rivastigmine (-5.6 Kcal/mol). Hence, it is suggested that intake of Coccinia grandis fruits can be used to reduce the severity and progress of Alzheimer's disease.