Insilico modeling of Wolbachia and its potentials in combating mosquito borne diseases Chikungunya and Dengue

N.M.Guruprasad, B.M.Harish, S.K.Jalali, H.P.Puttaraju

Mosquito borne diseases are major health burden both in tropical and subtropical regions. The enormous use of insecticides to control mosquitoes causes biomagnification of chemicals in environment and mosquitoes have developed resistance to insecticides. The inefficiency of insecticides to combat mosquitoes prompted researchers to develop efficient alternative methods. Wolbachia endosymbiont is a one of efficient new approach to control mosquitoes. Wolbachia strain invade mosquitoes biology by reducing host lifespan, phenotype and inhibit virus replication. In the present study, insilico modeling and docking of Wolbachia and human pathogens Chikungunya (CHIK) and Dengue (DEN) virus was done. Docking is the method to find the binding affinity of protein and ligand complex molecules for finding potential inhibitor. Using Hex, we obtained energy total (e-total) values in kcal/mol for all docked complex. In the contest of overall analyzing the docking E-total values of docked complexes reveals that WSP-B has show strong binding affinity than WSP-A to both DEN and CHIK. Based on obtained result, we suggest WSP-B has potential inhibitor for both DEN and CHIK virus. Further, biophysical characterization of Wolbachia will help to develop a drug to combat CHIK and DEN viruses.

Fig: Docking models of DEN:WSP-A. Interaction of Amino acid molecules present in active site of DEN showing in ball and stick model make H-bond interaction with WSP-A. WSP-A show in Stick model present at active site after docking with DEN.

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