Comparative mode of action of some terpene compounds against octopamine receptor and acetyl cholinesterase of mosquito and human system by the help of homology modeling and Docking studies.
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Date
2013-02
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Abstract
Mosquitoes are vectors of many diseases like malaria, encephalitis, dengue, filaria, yellow fever etc. and thus
possess severe threat to public health. Essential oils of some aromatic plants and many pure terpene compounds
have been reported effective against different strains of mosquitoes by many authors. In the present investigation,
five reported terpene compounds namely eugenol, geraniol, coumarin, eucalyptol and carvacrol were allowed to
dock against octopamine receptor and acetyl cholinesterase protein models of Aedes aegypti and Homo sapiens to
evaluate their comparative efficacy in terms of docking performance. All the compounds were found to dock with
both the protein models of the two animal systems while some of them were found to better perform against the
protein models of A.aegypti than the protein models of H.sapiens which can further be explored in mosquito
control programme as a comparatively safe compound(s). The results are discussed on the basis of energy value.
3D structures of proteins were modeled using Modeller9v8. The structures assessment were established using the
Procheck, WhatCheck and WhatIF server of Swiss Model Workspace. Ligands were prepared using the
Commercial Software Exome HorizonTM.
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Keywords
eugenol, geraniol, coumarin, eucalyptol, carvacrol, Aedes aegypti, Homo sapiens, Homology Modeling and Docking
Citation
Khanikor Bulbuli, Parida Pratap, Yadav R N S, Bora Dipsikha. Comparative mode of action of some terpene compounds against octopamine receptor and acetyl cholinesterase of mosquito and human system by the help of homology modeling and Docking studies. Journal of Applied Pharmaceutical Science. 2013 Feb; 3(2): 6-12.