Regulation of Metabolic Syndromes by means of controlling diseased Ache and Bche with Multitarget Inhibitors through in silico techniques
Dsvgk Kaladhar, N Anusha, V. V. Hemanth Giri Rao, Sudhakar Meesala · Journal of computational methods in molecular design · 2012
Alzheimer’s and D2M are the metabolic syndromes tha t are interlinked due to interaction of regulatory proteins or enzymes such as AchE and BchE . The function of AchE and BchE relies on specific ron its expression and localization in biological systems has been proved experimentally, and the interaction study and docki ng with virtual ligands has been conducted in the present w ork. Prediction of the binding of a ligand to a tar get protein is important in computational drug design and discover y. Alzheimer’s and D2M are the metabolic syndromes that are interlinked due to interaction of regulatory protei ns such as AchE and BchE. Docking has been made for the energy minimized ligands with the AchE (2X8B.pdb) and BchE (2XMB.pdb) proteins using docking softwares such a AutoDock, Hex and iGemDock. Docking results predict ed that Huperzine and Galanthamine have better drug activity with AchE protein. Docking results also pr edicted that Dibucaine and propionyl thiocholine ha ve better drug activity with BchE.