Concepedia

Structure-based Ligand Design

Structure-Based Ligand Design is a computational drug discovery approach that belongs to the class of structure-based drug design methodologies, distinguished by its explicit use of three-dimensional structural information of target receptors to rationally construct or optimize molecular ligands with high binding affinity and selectivity.

3.1K

Publications

133.2K

Citations

18.6K

Authors

2.6K

Institutions

Publications per year

2017–2026

855

Parents

Publications

3.1K

Discovering High-Affinity Ligands for Proteins: SAR by NMR

Suzanne B. Shuker, Philip J. Hajduk, Robert Meadows et al. · Science · 1996 · 2K citations

, , +14

Structure-based discovery of opioid analgesics with reduced side effects

Aashish Manglik, Henry J. Lin, Dipendra K. Aryal et al. · Nature · 2016 · 946 citations · Full text

, , +16

Structure Based Drug Design of Crizotinib (PF-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal–Epithelial Transition Factor (c-MET) Kinase and Anaplastic Lymphoma Kinase (ALK)

J. Jean Cui, Michelle Tran‐Dubé, Hong Shen et al. · Journal of Medicinal Chemistry · 2011 · 922 citations · Full text

, , +17

Automated design of ligands to polypharmacological profiles

Jérémy Besnard, G.F. Ruda, Vincent Setola et al. · Nature · 2012 · 845 citations · Full text

, , +14

De novo design of picomolar SARS-CoV-2 miniprotein inhibitors

Longxing Cao, Inna Goreshnik, Brian Coventry et al. · Science · 2020 · 718 citations · Full text

, , +17

1–5 of 3.1K

Authors

18.6K

  1. EN
    Ettore Novellino

    University of Naples Federico II, Italy

    28 publications · 1.3K citations

    20

    h-index

  2. CM
    Claudia Martini

    University of Pisa, Italy

    22 publications · 854 citations

    20

    h-index

  3. FV
    Flavia Varano

    University of Florence, Italy

    23 publications · 804 citations

    19

    h-index

  4. DC
    Daniela Catarzi

    University of Florence, Italy

    24 publications · 816 citations

    19

    h-index

  5. VC
    Vittoria Colotta

    University of Florence, Italy

    24 publications · 816 citations

    19

    h-index

1–5 of 18.6K

Institutions

2.6K

  1. Centre National de la Recherche Scientifique

    Paris, France

    33 h-index

    290 publications

    13.4K citations

  2. Pfizer (United States)

    New York, United States

    30 h-index

    581 publications

    54.9K citations

  3. National Institutes of Health

    Bethesda, United States

    29 h-index

    261 publications

    16.9K citations

  4. University of Florence

    Florence, Italy

    27 h-index

    242 publications

    9.3K citations

  5. Chinese Academy of Sciences

    Beijing, China

    27 h-index

    392 publications

    11.2K citations

  6. University of California, San Francisco

    San Francisco, United States

    24 h-index

    112 publications

    14.7K citations

  7. University of Siena

    Siena, Italy

    23 h-index

    234 publications

    10.6K citations

  8. Scripps Research Institute

    San Diego, United States

    23 h-index

    91 publications

    9.3K citations

1–8 of 2.6K

Venues

  1. Journal of Medicinal Chemistry

    599 publications · 38.3K citations

    98

    h-index

  2. Bioorganic & Medicinal Chemistry Letters

    365 publications · 11.7K citations

    54

    h-index

  3. Bioorganic & Medicinal Chemistry

    199 publications · 6.1K citations

    41

    h-index

  4. European Journal of Medicinal Chemistry

    177 publications · 5K citations

    36

    h-index

  5. Journal of the American Chemical Society

    JACS · 37 publications · 4.3K citations

    34

    h-index

1–5