Lead optimization articles within Nature

Featured

  • Letter |

    A system that combines nanoscale synthesis and affinity ranking enables high-throughput screening of reaction conditions and bioactivity for a given protein target, accelerating the process of drug discovery.

    • Nathan J. Gesmundo
    • , Bérengère Sauvagnat
    •  & Tim Cernak
  • Letter |

    A selective inhibitor of the kinetoplastid proteasome (GNF6702) is identified that is highly efficacious in vivo, clearing the parasites that cause leishmaniasis, Chagas disease and sleeping sickness from mice, highlighting the possibility of developing a single class of drugs for these neglected diseases.

    • Shilpi Khare
    • , Advait S. Nagle
    •  & Frantisek Supek
  • Article |

    An automated approach designing drug ligands to multi-target profiles (with a 75% prediction success rate) is experimentally validated by the invention of novel ligands tailored to the complex and physiologically-relevant goal of identifying drugs that can specifically target profiles of multiple proteins.

    • Jérémy Besnard
    • , Gian Filippo Ruda
    •  & Andrew L. Hopkins