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 Online Journal of Bioinformatics ©


Volume 12(1):139-148, 2011

Bio-computational interaction analysis of acetylcholinesterase(AChE) Toxin C

from Dendroaspis Polylepis with human hippocampal AChE


 Tanmaya Kumar Sahu1* and Mahesh Chandra Patra2


1Indian Agricultural Statistics Research Institute, New Delhi and 2PG Department of Bioinformatics, Orissa University of Agriculture and Technology, Bhubaneswar, Orissa, India




Sahu TK, Patra MC., Bio-computational interaction analysis of acetylcholinesterase (AChE) Toxin C from Dendroaspis polylepis with human AChE, Onl J Bioinform.,  12(1):139-148, 2011. A computational interaction model of a peptide acetyl-cholinesterase toxin C (AChETC) from the venom of Dendroaspis Polylepis (Black Mamba) with human hippocampal AChE is described. The 3D structures of AChE and AChETC were modeled by the program MODELLER interfaced with Discovery Studio 2.5. Protein-protein docking was performed by the GRAMM-X web server. The key residues Arg27, Pro30 and Pro31 of AChETC were found to  participate in AChE inhibition by forming hydrogen bonds and several other electrostatic and hydrophobic interactions with AChE.


Key Words:  Alzheimer’s, Acetylcholinesterase, Acetylcholinesterase toxin C, Docking, Homology Modeling