International Journal of Genetics and Molecular Biology
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Article Number - F4DEC262567


Vol.3(1), pp. 1-6 , January 2011

ISSN: 2006-9863



Full Length Research Paper

Molecular docking study of tripeptides VPP and IPP inhibiting angiotensin I converting enzyme to alleviate high altitude pulmonary edema


Uma Maheswari




1Department of Bioinformatics,  Aloysius Institute of Management and Information Technology, St. Aloysius College (Autonomous), 2nd cross, Sharada Nagar, Beeri, Kotekar Post, Madoor, Mangalore -575022, Karnataka, India.

2Department of Bioinformatics, Structural Biology lab, Bharathiar University, Coimbatore - 641046, Tamil Nadu, India


Email: ugdreams@gmail.com






 Accepted: 05 January 2011  Published: 31 January 2011

Copyright © 2011 Author(s) retain the copyright of this article.
This article is published under the terms of the Creative Commons Attribution License 4.0


High altitude pulmonary edema (HAPE) remains the major cause of death related to high altitude exposure with a high mortality in absence of emergency treatment. Due to the deprival of oxygen in higher altitudes, the blood vessels constricts and squeezes blood in the vessels. This makes pressure to go up which in turn forces blood into air pockets in lungs that can kill people with HAPE. Angiotensin Converting Enzyme (ACE) is found in lung capillaries. It catalyses conversion of angiotensin I to angiotensin II which is a potent vasoconstrictor and inactivates bradykinin which is a potent vasodilator thereby causing HAPE. Tripeptides Val-Pro-Pro (VPP) and Ile-Pro-Pro (IPP) act as ACE inhibitors, that reduce vasoconstriction and facilitate vasodilation, so that they can be used in the treatment of HAPE. Enzyme-inhibitor docking is performed between Angiotensin I Converting Enzyme ACE and two natural inhibitors, tripeptides Val-Pro-Pro (VPP) and Ile-Pro-Pro (IPP) using the Patchdock Software. The docking study provided a quantitative energetic measure (Atomic Contact Energy) of 262.56 and 147.73 for ACE inhibition by VPP and IPP respectively. This ensures that the tripeptides Val-Pro-Pro (VPP) and Ile-Pro-Pro (IPP) are able to inhibit the activity of the ACE which in turn can induce decreased formation of Angiotensin II and decreased inactivation of bradykinin thereby it can alleviate HAPE.

 

Key words: High altitude pulmonary edema (HAPE), angiotensin converting enzyme, Val-Pro-Pro, Ile-Pro-Pro, patchdock

 

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APA (2011). Molecular docking study of tripeptides VPP and IPP inhibiting angiotensin I converting enzyme to alleviate high altitude pulmonary edema. International Journal of Genetics and Molecular Biology, 3(1), 1-6.
Chicago Uma Maheswari. "Molecular docking study of tripeptides VPP and IPP inhibiting angiotensin I converting enzyme to alleviate high altitude pulmonary edema." International Journal of Genetics and Molecular Biology 3, no. 1 (2011): 1-6.
MLA Uma Maheswari. "Molecular docking study of tripeptides VPP and IPP inhibiting angiotensin I converting enzyme to alleviate high altitude pulmonary edema." International Journal of Genetics and Molecular Biology 3.1 (2011): 1-6.
   
DOI
URL http://academicjournals.org/journal/IJGMB/article-abstract/F4DEC262567

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