Study of In silico Drug Docking for Tegumental H17G Protein and Oncosphere TSO45-2A Protein in Taenia Solium (Linnaeus, 1758) using Bioinformatics Tools

International Journal of Novel Trends in Pharmaceutical Sciences,2012,2,2,90-97.
Published:June 2012
Type:Research Article
Authors:
Author(s) affiliations:

M. P Nithya1*, T. Radha1 and M. Balaji2

1Department of Advanced zoology and Biotechnology, Ethiraj College for Women (Autonomous) Chennai-600008, Tamil Nadu, India. 

2Director, Akshaya Neuroinformatics Research Center, Chennai 600005, Tamil Nadu, India.

Abstract:

Parasitic infections are most common now-a-days which arise as a global problem. Inflammation is due to the human’s immune system response to the dying cysts. Antibiotics such as Mebandazole and Albendazole have been found effective against these infections. The current work focuses on structure based drug designing against potential targets of parasitic infections. Aim: The main aim of present investigation is the comparative modeling and ligand designing of potential targets CH17 g protein, tegumental antigen and activated onchosphere which are threats to both taeniasis and cysticerosis. Methods: Software tools were used to detect the tertiary structure of target and protein modeling were done using swiss-model server. The appropriate ligands of the potential targets were selected using pubchem compound database. The behavior of these ligands was analysed using molecular visualization tool. Result/Discussion: The designed ligands were validated and their binding affinities were analysed. The designed ligands Albendazole with Benzoate and Albendazole with Methythiodiocarbomate and receptors, namely, H17g protein, tegumental antigen and activated oncosphere TSO45-2A are docked using automated docking server. From the results obtained, it is deduced that combined ligands (Albendazole with Benzoate and Albendazole with Methythiodiocarbomate) are better binding drug targets than just the albendazole ligand. Conclusion: These drugs can be very effective against destruction of parasitic worms. Hence, they can be used therapeutically in the treatment of Helminthiasis in man and animal.

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Ligand selection: Methyldithiocarbamate (STICK AND DOTTED MODEL)