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Title |
Design of inhibitors using a combinatorial library for HIV-Nef and human SH3 domain interaction
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Authors |
Jatin Kakkar, Kamal Kumar Chaudhary & Chekkara Venkata Satya Siva Prasad*
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Affiliation |
Division of Applied Sciences & IRCB, M. Tech. Bioinformatics, Indian Institute of Information Technology, Deoghat, Jhalwa, Allahabad 211012, India |
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shiva@iiita.ac.in; *Corresponding author |
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Article Type |
Hypothesis |
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Date |
Received August 18, 2013; Accepted August 20, 2013; Published August 28, 2013
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Abstract |
The HIV-1 Nef protein has the ability to down regulate important molecules at the immune synapse. These include class I and class II (Human Leukocyte Antigen) HLA on the Antigen Presenting Cells (APC). The receptors in these molecules consist of SH-3 domain and their interaction with the HIV-1 Nef is critical. Therefore, it is important to inhibit this HIV-Nef and human SH3 domain interaction. Thus, we used a combinatorial library to screen for molecules to inhibit this interaction. The exercise identified a group of top ranking compounds for further consideration. |
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Keywords |
Nef protein, combinatorial library, virtual screening, Hydrogen bond interaction.
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Citation |
Kakkar et al.
Bioinformation 9(15): 777-781 (2013) |
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Edited by |
P Kangueane
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ISSN |
0973-2063
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Publisher |
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License |
This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License. |