Concepedia

Mechanism-based Lead Optimization

Mechanism-Based Lead Optimization is a computational or experimental strategy in drug discovery that, as a subtype of lead optimization methods, specifically integrates detailed mechanistic insights into allosteric modulation—such as conformational dynamics, binding cooperativity, or signaling bias—to rationally refine the structure and activity of allosteric ligands.

19

Publications

1K

Citations

122

Authors

46

Institutions

Publications per year

2017–2026

5

Parents

Publications

19

Molecular obesity, potency and other addictions in drug discovery

Michael M. Hann · MedChemComm · 2011 · 354 citations

, , +17

Quantitative structure-activity relationships in amphotericin B derivatives

Monique Chéron, Barbara Cybulska, Jan Mazerski et al. · Biochemical Pharmacology · 1988 · 137 citations

, , +14

Mechanism‐Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure–Activity Relationship, Biostructural, and Kinetic Insight

Nima Rajabi, Marina Auth, Kathrin R. Troelsen et al. · Angewandte Chemie International Edition · 2017 · 73 citations · Full text

, , +17

Investigating the molecular mechanism of staphylococcal DNA gyrase inhibitors: A combined ligand-based and structure-based resources pipeline

Serdar Durdağı, Muhammad Tahir ul Qamar, Ramin Ekhteiari Salmas et al. · Journal of Molecular Graphics and Modelling · 2018 · 54 citations

, , +11

QSAR studies on some thiophene analogs as anti-inflammatory agents: enhancement of activity by electronic parameters and its utilization for chemical lead optimization

Ajay D. Pillai, Parendu D. Rathod, Franklin P. Xavier et al. · Bioorganic & Medicinal Chemistry · 2004 · 47 citations

, , +15

1–5 of 19

Authors

122

  1. MA
    Marina Auth

    Duke University, United States

    2 publications · 87 citations

    2

    h-index

  2. CA
    Christian A. Olsen

    University of Copenhagen, Denmark

    2 publications · 87 citations

    2

    h-index

  3. MP
    M. Pannek

    University of Bayreuth, Germany

    2 publications · 87 citations

    2

    h-index

  4. MF
    Martin Fontenas

    University of Copenhagen, Denmark

    2 publications · 87 citations

    2

    h-index

  5. KR
    Kathrin R. Troelsen

    University of Copenhagen, Denmark

    2 publications · 87 citations

    2

    h-index

1–5 of 122

Institutions

46

  1. Duke Medical Center

    Durham, United States

    2 h-index

    4 publications

    174 citations

  2. Duke University

    Durham, United States

    2 h-index

    4 publications

    174 citations

  3. University of Copenhagen

    Copenhagen, Denmark

    2 h-index

    12 publications

    522 citations

  4. Duke University Hospital

    Durham, United States

    2 h-index

    4 publications

    174 citations

  5. University of Bayreuth

    Bayreuth, Germany

    2 h-index

    4 publications

    174 citations

  6. National Institute of Malaria Research

    New Delhi, India

    1 h-index

    1 publications

    31 citations

  7. United States Military Academy

    West Point, United States

    1 h-index

    10 publications

    270 citations

  8. North Hertfordshire College

    Stevenage, United Kingdom

    1 h-index

    1 publications

    354 citations

1–8 of 46

Venues

  1. Bioorganic & Medicinal Chemistry Letters

    4 publications · 108 citations

    4

    h-index

  2. Bioorganic & Medicinal Chemistry

    3 publications · 78 citations

    3

    h-index

  3. European Journal of Medicinal Chemistry

    2 publications · 76 citations

    2

    h-index

  4. Journal of Molecular Graphics and Modelling

    1 publications · 54 citations

    1

    h-index

  5. Angewandte Chemie International Edition

    1 publications · 73 citations

    1

    h-index

1–5