Selected article for: "active site and drug design"

Author: Ku, Therese; Lopresti, Natalie; Shirley, Matthew; Mori, Mattia; Marchant, Jan; Heng, Xiao; Botta, Maurizio; Summers, Michael F.; Seley-Radtke, Katherine L.
Title: Synthesis of distal and proximal fleximer base analogues and evaluation in the nucleocapsid protein of HIV-1
  • Cord-id: 7cm6m1ol
  • Document date: 2019_7_1
  • ID: 7cm6m1ol
    Snippet: Anti-HIV-1 drug design has been notably challenging due to the virus’ ability to mutate and develop immunity against commercially available drugs. The aims of this project were to develop a series of fleximer base analogues that not only possess inherent flexibility that can remain active when faced with binding site mutations, but also target a non-canonical, highly conserved target: the nucleocapsid protein of HIV (NC). The compounds were predicted by computational studies not to function vi
    Document: Anti-HIV-1 drug design has been notably challenging due to the virus’ ability to mutate and develop immunity against commercially available drugs. The aims of this project were to develop a series of fleximer base analogues that not only possess inherent flexibility that can remain active when faced with binding site mutations, but also target a non-canonical, highly conserved target: the nucleocapsid protein of HIV (NC). The compounds were predicted by computational studies not to function via zinc ejection, which would endow them with significant advantages over non-specific and thus toxic zinc-ejectors. The target fleximer bases were synthesized using palladium-catalyzed cross-coupling techniques and subsequently tested against NC and HIV-1. The results of those studies are described herein.

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