Concepedia

Structure-based Selectivity Design

Structure-Based Selectivity Design is a computational drug discovery approach that leverages three-dimensional molecular structures of target and off-target proteins to selectively optimize ligand interactions, thereby minimizing unintended binding to structurally related biomolecules.

270

Publications

14.9K

Citations

2.7K

Authors

446

Institutions

Publications per year

2017–2026

100

Parents

Publications

270

Structure-Based Design of Spiro-oxindoles as Potent, Specific Small-Molecule Inhibitors of the MDM2−p53 Interaction

Ke Ding, Yipin Lu, Zaneta Nikolovska‐Coleska et al. · Journal of Medicinal Chemistry · 2006 · 692 citations · Full text

, , +14

Redesigning an FKBP–ligand interface to generate chemical dimerizers with novel specificity

Tim Clackson, Yang Wu, Leonard W. Rozamus et al. · Proceedings of the National Academy of Sciences · 1998 · 564 citations

, , +17

Structural Bioinformatics-Based Design of Selective, Irreversible Kinase Inhibitors

Michael S. Cohen, Chao Zhang, Kevan M. Shokat et al. · Science · 2005 · 508 citations · Full text

, , +15

Computational design of ligand-binding proteins with high affinity and selectivity

Christine E. Tinberg, Sagar D. Khare, Jiayi Dou et al. · Nature · 2013 · 450 citations · Full text

, , +16

Structure-guided design of a selective BCL-XL inhibitor

Guillaume Lessène, Peter E. Czabotar, Brad E. Sleebs et al. · Nature Chemical Biology · 2013 · 374 citations · Full text

, , +14

1–5 of 270

Authors

2.7K

  1. RK
    Rab K. Prinjha

    GlaxoSmithKline (United Kingdom), United Kingdom

    10 publications · 507 citations

    10

    h-index

  2. CC
    Chun‐wa Chung

    GlaxoSmithKline (United Kingdom), United Kingdom

    9 publications · 409 citations

    9

    h-index

  3. EH
    Emmanuel H. Demont

    GlaxoSmithKline (United Kingdom), United Kingdom

    9 publications · 409 citations

    9

    h-index

  4. RJ
    Robert J. Watson

    GlaxoSmithKline (United Kingdom), United Kingdom

    7 publications · 277 citations

    7

    h-index

  5. PG
    Paola Grandi

    GlaxoSmithKline (Germany), Germany

    6 publications · 231 citations

    6

    h-index

1–5 of 2.7K

Institutions

446

  1. University of North Carolina at Chapel Hill

    Chapel Hill, United States

    10 h-index

    50 publications

    2.3K citations

  2. University of Michigan

    Ann Arbor, United States

    8 h-index

    75 publications

    12.8K citations

  3. WuXi AppTec (China)

    Shanghai, China

    8 h-index

    76 publications

    5.3K citations

  4. Chinese Academy of Sciences

    Beijing, China

    7 h-index

    40 publications

    1.4K citations

  5. GlaxoSmithKline (United Kingdom)

    London, United Kingdom

    7 h-index

    82 publications

    3.2K citations

  6. GlaxoSmithKline (Germany)

    Hamburg, Germany

    6 h-index

    21 publications

    1.2K citations

  7. AstraZeneca (United Kingdom)

    Cambridge, United Kingdom

    6 h-index

    55 publications

    2.7K citations

  8. Vertex Pharmaceuticals (United States)

    Boston, United States

    6 h-index

    69 publications

    3.9K citations

1–8 of 446

Venues

  1. Journal of Medicinal Chemistry

    106 publications · 6.6K citations

    48

    h-index

  2. ACS Medicinal Chemistry Letters

    26 publications · 736 citations

    19

    h-index

  3. Bioorganic & Medicinal Chemistry Letters

    16 publications · 583 citations

    15

    h-index

  4. Journal of the American Chemical Society

    JACS · 12 publications · 855 citations

    12

    h-index

  5. European Journal of Medicinal Chemistry

    10 publications · 249 citations

    10

    h-index

1–5