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Design of inhibitors using a combinatorial library for HIV-Nef and human SH3 domain interaction

Jatin Kakkar1, Kamal Kumar Chaudhary, Chekkara Venkata Satya Siva Prasad

  • 1Division of Applied Sciences & IRCB, M. Tech. Bioinformatics, Indian Institute of Information Technology, Deoghat, Jhalwa, Allahabad 211012, India.

Bioinformation
|September 12, 2013
PubMed

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.

Keywords:
Hydrogen bond interactionNef proteincombinatorial libraryvirtual screening

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