Stereo-chemical Analysis of Swiss Prot Derived AchE Homology Models

Acetylcholine esterase (AchE) is the primary target for Alzheimer's, various types of dementia and also as pesticidal target for various lower organisms. Many compounds, organophosphates, organo- chlorides, natural and synthetic drugs like Rivastagmine, Imintin, Huprezin A, Venoms are known to reversibly, irreversibly inhibit AchE. Homology modeling is an art of designing proteins on the basis of the previously discovered 3D NMR, X- ray structures according to its sequence similarity. But possibilities of models predicted having certain kind of angular errors cannot be ignored. There is need of a tends to zero error protein model for molecular docking studies. In the present study molecular virtual homology modeling is performed on Ache molecules. Procheck was used to cross check the homology models and determine its Ramachandran plot values. The percentage of values in allowed regions in Ramachandran plot, additional allowed regions, G factor, Zeta angle deviation, RMSD were stastically analyzed. The study done, in future, can be helpful for protein ligand docking studies in appropriate model organism with similarities in sequence s as humans.