Stereo-chemical Analysis of Swiss Prot Derived AchE Homology Models

摘要

Acetylcholine esterase (AchE) is the primary target for Alzheimer's, varioustypes of dementia and also as pesticidal target for various lower organisms.Many compounds, organophosphates, organo- chlorides, natural and syntheticdrugs like Rivastagmine, Imintin, Huprezin A, Venoms are known toreversibly, irreversibly inhibit AchE. Homology modeling is an art ofdesigning proteins on the basis of the previously discovered 3D NMR, X- raystructures according to its sequence similarity. But possibilities of modelspredicted having certain kind of angular errors cannot be ignored. There isneed of a tends to zero error protein model for molecular docking studies. Inthe present study molecular virtual homology modeling is performed on Achemolecules. Procheck was used to cross check the homology models anddetermine its Ramachandran plot values. The percentage of values in allowedregions in Ramachandran plot, additional allowed regions, G factor, Zetaangle deviation, RMSD were stastically analyzed. The study done, in future,can be helpful for protein ligand docking studies in appropriate modelorganism with similarities in sequence s as humans.