Unknown

Dataset Information

0

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

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.

SUBMITTER: Frey KM 

PROVIDER: S-EPMC3518392 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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

Frey Kathleen M KM   Bollini Mariela M   Mislak Andrea C AC   Cisneros José A JA   Gallardo-Macias Ricardo R   Jorgensen William L WL   Anderson Karen S KS  

Journal of the American Chemical Society 20121119 48

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. ...[more]

Similar Datasets

Unknown Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.
| S-EPMC4233359 | biostudies-literature
Unknown Picomolar inhibitors of HIV reverse transcriptase featuring bicyclic replacement of a cyanovinylphenyl group.
| S-EPMC3877923 | biostudies-literature
Unknown Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
| S-EPMC6699100 | biostudies-literature
Transcriptomics Reverse transcriptase inhibitors in Aicardi-Goutières syndrome
2018-12-12 | E-MTAB-7087 | biostudies-arrayexpress
Unknown Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
| S-EPMC8096264 | biostudies-literature
Unknown Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
| S-EPMC2528191 | biostudies-literature
Unknown Design, Synthesis, and Antiviral Evaluation of Chimeric Inhibitors of HIV Reverse Transcriptase.
| S-EPMC4027223 | biostudies-literature
Unknown Crystal structures of a natural DNA polymerase that functions as an XNA reverse transcriptase.
| S-EPMC6649750 | biostudies-literature
Unknown Design and synthesis of tetrahydrophthalimide derivatives as inhibitors of HIV-1 reverse transcriptase.
| S-EPMC3847232 | biostudies-literature
Unknown Reverse transcriptase inhibitors as potential colorectal microbicides.
| S-EPMC2681527 | biostudies-literature