Literature DB >> 25408842

Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.

Won-Gil Lee1, Kathleen M Frey2, Ricardo Gallardo-Macias1, Krasimir A Spasov2, Mariela Bollini1, Karen S Anderson2, William L Jorgensen1.   

Abstract

Catechol diethers that incorporate a 6-cyano-1-naphthyl substituent have been explored as non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs). Promising compounds are reported that show midpicomolar activity against the wild-type virus and sub-20 nM activity against viral variants bearing Tyr181Cys and Lys103Asn mutations in HIV-RT. An X-ray crystal structure at 2.49 Å resolution is also reported for the key compound 6e with HIV-RT.

Entities:  

Keywords:  Anti-HIV agents; NNRTIs; protein crystallography

Year:  2014        PMID： 25408842      PMCID： PMC4233359          DOI： 10.1021/ml5003713

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  18 in total

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  17 in total

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5.  Computer-aided discovery of anti-HIV agents.

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6.  Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.

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9.  Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents.

Authors:  Won-Gil Lee; Albert H Chan; Krasimir A Spasov; Karen S Anderson; William L Jorgensen
Journal:  ACS Med Chem Lett       Date:  2016-10-31       Impact factor: 4.345

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