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American Journal of Biochemistry and Molecular Biology
  Year: 2019 | Volume: 9 | Issue: 1 | Page No.: 1-6
DOI: 10.3923/ajbmb.2019.1.6
Molecular Docking Studies of Benzamide Derivatives for PfDHODH Inhibitor as Potent Antimalarial Agent
Indra Vikram Singh and Sanjay Mishra

Abstract:
Background and Objective: The most severe form of Malaria is caused by Plasmodium falciparum. Plasmodium falciparum Dihydroorotate dehydrogenase (PfDHODH) is essential for the growth of this malaria parasite and has been validated as an antimalarial drug target for development of new antimalarial agents. The antimalarial identification using experimental techniques is expensive and requires extensive pains and labor. Several derivatives of triazolopyrimidine, benzamide, naphthamide and urea have been reported to inhibit PfDHODH. Yet, there is a good scope for design and optimization of these molecules owing to either for their toxic nature or poor activity. Therefore, molecular docking techniques can be used to provide new insights into the development of potent chemotherapeutic drug for combating malaria by targeting PfDHODH. Materials and Methods: Authors employed biological databases like PubChem, Drug Bank, Protein Data Bank (PDB) and the softwares, namely, Chimera, AutoDock and Python Molecular Viewer. The PDB contains structural information of the experimentally determined macromolecules and AutoDock is an automated docking tool, designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Chimera is a highly extensible program for interactive visualization and analysis of molecular structures while Python Molecular Viewer is a powerful molecular viewer. Results: On screening of benzamide derivatives, drug candidate CID 867491 was found to have least docking energy (-4.82 Kcal mol–1), which inhibits PfDHODH and further the interaction between them was validated using python software by formation of hydrogen bond between the CID 867491 and PfDHODH. Conclusion: Results obtained from in silico study may provide a new insight into the development of potent chemotherapeutic drug for combating malaria by targeting PfDHODH, after further validating the identified target in wet labs.
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How to cite this article:

Indra Vikram Singh and Sanjay Mishra, 2019. Molecular Docking Studies of Benzamide Derivatives for PfDHODH Inhibitor as Potent Antimalarial Agent. American Journal of Biochemistry and Molecular Biology, 9: 1-6.

DOI: 10.3923/ajbmb.2019.1.6

URL: https://scialert.net/abstract/?doi=ajbmb.2019.1.6

 
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