Concepedia

Structure-based Multi-target Design

Structure-Based Multi-Target Design is a computational drug discovery approach that integrates the three-dimensional structural information of multiple biological targets to rationally design single ligands or small molecules capable of selectively modulating those targets simultaneously, distinguishing it from other multi-target strategies by its reliance on atomic-level structural data for molecular optimization.

81

Publications

4.2K

Citations

516

Authors

169

Institutions

Publications per year

2017–2026

51

Parents

Publications

81

A perspective on multi‐target drug discovery and design for complex diseases

Rona R. Ramsay, Marija R. Popović-Nikolić, Katarina Nikolić et al. · Clinical and Translational Medicine · 2018 · 701 citations · Full text

, , +17

Discovery of Multitarget-Directed Ligands against Alzheimer’s Disease through Systematic Prediction of Chemical–Protein Interactions

Jiansong Fang, Yongjie Li, Rui Liu et al. · Journal of Chemical Information and Modeling · 2014 · 118 citations

, , +17

Small Molecule Inhibitors Simultaneously Targeting Cancer Metabolism and Epigenetics: Discovery of Novel Nicotinamide Phosphoribosyltransferase (NAMPT) and Histone Deacetylase (HDAC) Dual Inhibitors

Guoqiang Dong, Wei Chen, Xia Wang et al. · Journal of Medicinal Chemistry · 2017 · 106 citations · Full text

, , +13

Systematic Structure Modifications of Multitarget Prostate Cancer Drug Candidate Galeterone To Produce Novel Androgen Receptor Down-Regulating Agents as an Approach to Treatment of Advanced Prostate Cancer

Puranik Purushottamachar, Abhijit M. Godbole, Lalji K. Gediya et al. · Journal of Medicinal Chemistry · 2013 · 103 citations · Full text

, , +17

Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents

Alejandro Speck‐Planche, Valeria V. Kleandrova, Feng Luan et al. · Bioorganic & Medicinal Chemistry · 2012 · 100 citations

, , +17

1–5 of 81

Authors

516

  1. MB
    Manuela Bartolini

    University of Bologna, Italy

    8 publications · 416 citations

    8

    h-index

  2. AS
    Alejandro Speck‐Planche

    Universidade do Porto, Portugal

    7 publications · 359 citations

    7

    h-index

  3. ML
    María Laura Bolognesi

    University of Bologna, Italy

    7 publications · 1.1K citations

    7

    h-index

  4. VA
    Vincenza Andrisano

    University of Bologna, Italy

    7 publications · 398 citations

    7

    h-index

  5. VV
    Valeria V. Kleandrova

    Moscow State University of Food Production, Russia

    6 publications · 296 citations

    6

    h-index

1–5 of 516

Institutions

169

  1. University of Bologna

    Bologna, Italy

    11 h-index

    79 publications

    5.5K citations

  2. Universidade de Santiago de Compostela

    Santiago de Compostela, Spain

    6 h-index

    20 publications

    1.2K citations

  3. Universidade do Porto

    Porto, Portugal

    6 h-index

    11 publications

    650 citations

  4. Rede de Química e Tecnologia

    Porto, Portugal

    4 h-index

    9 publications

    588 citations

  5. Moscow State University of Food Production

    Moscow, Russia

    4 h-index

    4 publications

    207 citations

  6. Jagiellonian University

    Krakow, Poland

    4 h-index

    37 publications

    1.1K citations

  7. Italian Institute of Technology

    Genoa, Italy

    4 h-index

    21 publications

    836 citations

  8. University of Bari Aldo Moro

    Bari, Italy

    4 h-index

    22 publications

    816 citations

1–8 of 169

Venues

  1. European Journal of Medicinal Chemistry

    11 publications · 552 citations

    11

    h-index

  2. Bioorganic & Medicinal Chemistry

    7 publications · 325 citations

    7

    h-index

  3. Bioorganic Chemistry

    5 publications · 216 citations

    5

    h-index

  4. Journal of Medicinal Chemistry

    5 publications · 317 citations

    5

    h-index

  5. Molecular Diversity

    5 publications · 263 citations

    5

    h-index

1–5