Homology Modeling and Prediction of Catalytic Amino Acid in the Neurotoxin from Indian Cobra (Naja naja)

The Open Bioinformatics Journal 31 December 2008 RESEARCH ARTICLE DOI: 10.2174/1875036200802010097


The neurotoxin secreted by Indian cobra (Naja naja) binds to acetylcholine receptor of nerve cells, which leads to a lump in the nerve impulse, ceases breathing, thereby causing the death of a person due to suffocation. These neurotoxins are small peptide with approximately 7 kDa. Homology modeling was performed to generate the 3D structure of neurotoxins (A, B, C and D) of N. naja, using the known protein template crystal structure (PDB: 2CTX). The validation of 3D structure was done using PROCHECK. Furthermore, the prediction of catalytic amino acid residues in the active site domain of the 3-D structure of neurotoxin was identified. The 3-D structures of neurotoxin and catalytic amino acid residue may be used to target and design the antivenom drugs against the Indian cobra.

Keywords: Naja naja, Neurotoxin, Acetylcholine receptor, Antivenom.
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