Investigation into the Extension of the Non-Nucleoside Reverse Transcriptase Binding Pocket
Tom B. Dupree A , Paul A. Keller B and Renate Griffith A C
+ Author Affiliations
- Author Affiliations
A School of Medical Sciences, Pharmacology, University of New South Wales, Sydney, NSW 2052, Australia.
B School of Chemistry, University of Wollongong, Wollongong, NSW 2522, Australia.
C Corresponding author. Email: r.griffith@unsw.edu.au
Australian Journal of Chemistry 64(7) 916-918 https://doi.org/10.1071/CH11054
Submitted: 31 January 2011 Accepted: 17 March 2011 Published: 19 July 2011
Abstract
Superimposition of 125 non-nucleoside inhibitors from human immunodeficiency virus reverse transcriptase structures reveals a novel binding space deeper into the enzyme for some of these inhibitors, allowing access to the polymerase active site. This may enable us to design new inhibitors of this enzyme with better mutation resistance profiles. We have analysed this new binding space and have docked our in-house scaffolds into this region, highlighting the possibility of the formation of new hydrogen bonds with residues of the active site.
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