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Volume 18, Issue 3 (6-2015)                   J Arak Uni Med Sci 2015, 18(3): 67-79 | Back to browse issues page

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Nosrati M, Behbahani M. Molecular Docking Study of HIV-1 Protease with Triterpenoides Compounds from Plants and Mushroom. J Arak Uni Med Sci. 2015; 18 (3) :67-79
URL: http://jams.arakmu.ac.ir/article-1-3723-en.html
1- University of Isfahan, Isfahan, Iran
2- Department of Microbial Biotechnology, University of Isfahan, Isfahan, Iran , ma_behbahani@yahoo.com
Abstract:   (5108 Views)

Background: Because of the reported high ability of virulence and medicinal resistance of HIV-1 virus during the last decades, many investigations have been performed concerning discovery and the introduction of anti-HIV-1 drugs. The results of numerous researches have shown that drugs and protease inhibitory compounds mainly containing plant derivatives specially terpenoids may control HIV-1 infection very effectively. The aim of this research is the bioinformatical study of HIV-1 protease inhibition by standard drugs and triterpenoides from plant and mushroom.

Materials and Methods: This is a descriptive-analytic study. In the present study , the structure of drugs, triterpene comounds, and HIV-1 protease enzyme was received from the databases such as Chem Spider, PubChem, Human Metabolome Database (HMDB), and Protein Data Bank (PDB). After that, molecular docking was performed by iGRMDOCK 2.1 software

Results: The results confirmed that the interactions of the triterpene compounds like the standard drugs were in three safeguarded and catalytic areas including central domain, flap and carboxylic terminal domain specially amino acids Asp25, Asp27, Ala28, Asp29 and Asp30 in active sites of HIV-1 protease. Also, The study of the interactions of these areas showed that there is a direct correlation between the strength of the interactions and IC50 values of these compounds.

Conclusion: Finally, with due attention to the high effectiveness and the proprietary function of triterpenoids, we can conclude that these compounds may be considered as effectire HIV-1 antiprotease drugs.

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Type of Study: Original Atricle | Subject: Basic Sciences
Received: 2015/05/26 | Accepted: 2015/05/27

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