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Journal of Computer Science & Systems Biology
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Research Article

Molecular Docking Studies of Antimalarial Drugs for Malaria

Nutan Prakash*, Shivani Patel, Nilkanth J. Faldu, Ravi Ranjan and DVN Sudheer

Lecturer, Department of Biotechnology, Shree M. & N. Virani Science College Rajkot, India

*Corresponding Author:
Dr. Nutan Prakash
Lecturer, Dept.of Biotechnology,
Shree M. & N. Virani Science College Rajkot, India,
Tel: 91-9016780571;
E-mail: [email protected]

Received Date: May 04, 2010; Accepted Date: May 07, 2010; Published Date:May 07, 2010

Citation: Prakash N, Patel S, Faldu NJ, Ranjan R, Sudheer DVN (2010) Molecular Docking Studies of Antimalarial Drugs for Malaria. J Comput Sci Syst Biol 3:070-073. doi: 10.4172/jcsb.1000059

Copyright: © 2010 Prakash N, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Abstract

Malaria is the most important parasitic disease in humans, with transmission occurring in over 100 countries with a population of three billion people. It is caused by protozoan parasites of the genus Plasmodium. These parasites are transmitted from one person to another by the female anopheles mosquito. Proguanil is a prophylactic antimalarial drug, it stops the malaria parasite, Plasmodium falciparum and Plasmodium vivax, from reproducing once it is in the red blood cells. It does this by inhibiting the enzyme, dihydrofolate reductase. The side effects of these drugs make the need for the necessity of new improved drugs Conformational analysis and geometry optimization of Proguanil was performed using Argus Lab & Hex software. When the receptor (DHFR) was docked with the drug Proguanil the energy value obtained was (-6.59) using Argus Lab and (-174.54) using hex. The most feasible position for the drug to interact with the receptor was found to be with analog 2 having energy -9.56 K.cal/mole using Argus Lab and -201.92 K.cal/mole using HEX Tool. So Proguanil Analog 2 sketched using Chemsketch is detected with more signifi cant energy values in both softwares and probable lead molecules. Further from ADME/T properties of the Analogs is also showing the better result than available drug.

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