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OJBTM
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
ABSTRACT
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
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