Crystal structures of HIV-1 reverse transcriptase with picomolar inhibitors reveal key interactions for drug design

Kathleen M. Frey, Mariela Bollini, Andrea C. Mislak, José A. Cisneros, Ricardo Gallardo-Macias, William L. Jorgensen, Karen S. Anderson

Research output: Contribution to journalArticlepeer-review

36 Scopus citations

Abstract

X-ray crystal structures at 2.9 Å resolution are reported for two complexes of catechol diethers with HIV-1 reverse transcriptase. The results help elucidate the structural origins of the extreme antiviral activity of the compounds. The possibility of halogen bonding between the inhibitors and Pro95 is addressed. Structural analysis reveals key interactions with conserved residues P95 and W229 of importance for design of inhibitors with high potency and favorable resistance profiles.

Original languageEnglish (US)
Pages (from-to)19501-19503
Number of pages3
JournalJournal of the American Chemical Society
Volume134
Issue number48
DOIs
StatePublished - Dec 5 2012

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