"Drug Design" is a descriptor in the National Library of Medicine's controlled vocabulary thesaurus,
MeSH (Medical Subject Headings). Descriptors are arranged in a hierarchical structure,
which enables searching at various levels of specificity.
The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include pharmacokinetics, dosage analysis, or drug administration analysis.
| Descriptor ID |
D015195
|
| MeSH Number(s) |
E05.295.500 H01.158.703.007.675.500 H01.181.466.675.500
|
| Concept/Terms |
Drug Design- Drug Design
- Design, Drug
- Designs, Drug
- Drug Designs
Drug Modeling- Drug Modeling
- Drug Modelings
- Modeling, Drug
- Modelings, Drug
|
Below are MeSH descriptors whose meaning is more general than "Drug Design".
Below are MeSH descriptors whose meaning is more specific than "Drug Design".
This graph shows the total number of publications written about "Drug Design" by people in this website by year, and whether "Drug Design" was a major or minor topic of these publications.
To see the data from this visualization as text,
click here.
| Year | Major Topic | Minor Topic | Total |
|---|
| 1996 | 0 | 1 | 1 |
| 1999 | 0 | 1 | 1 |
| 2000 | 0 | 3 | 3 |
| 2001 | 0 | 1 | 1 |
| 2002 | 1 | 0 | 1 |
| 2003 | 0 | 2 | 2 |
| 2004 | 0 | 4 | 4 |
| 2005 | 5 | 1 | 6 |
| 2006 | 5 | 2 | 7 |
| 2007 | 2 | 2 | 4 |
| 2008 | 2 | 7 | 9 |
| 2009 | 2 | 7 | 9 |
| 2010 | 3 | 0 | 3 |
| 2011 | 3 | 2 | 5 |
| 2012 | 1 | 4 | 5 |
| 2013 | 1 | 4 | 5 |
| 2014 | 2 | 3 | 5 |
| 2015 | 1 | 2 | 3 |
| 2016 | 2 | 1 | 3 |
| 2017 | 1 | 2 | 3 |
| 2018 | 1 | 0 | 1 |
| 2019 | 1 | 2 | 3 |
| 2020 | 3 | 2 | 5 |
| 2023 | 0 | 1 | 1 |
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Below are the most recent publications written about "Drug Design" by people in Profiles.
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Inhibitors of the PLK1 polo-box domain: drug design strategies and therapeutic opportunities in cancer. Expert Opin Drug Discov. 2023 01; 18(1):65-81.
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Rationally Designed ACE2-Derived Peptides Inhibit SARS-CoV-2. Bioconjug Chem. 2021 01 20; 32(1):215-223.
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Inhibition of RAS: proven and potential vulnerabilities. Biochem Soc Trans. 2020 10 30; 48(5):1831-1841.
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Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design. Sci Adv. 2020 10; 6(42).
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Design of Hydrazide-Bearing HDACIs Based on Panobinostat and Their p53 and FLT3-ITD Dependency in Antileukemia Activity. J Med Chem. 2020 05 28; 63(10):5501-5525.
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Druggable exosites of the human kino-pocketome. J Comput Aided Mol Des. 2020 03; 34(3):219-230.
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Design and Synthesis of Type-IV Inhibitors of BRAF Kinase That Block Dimerization and Overcome Paradoxical MEK/ERK Activation. J Med Chem. 2019 04 25; 62(8):3886-3897.
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Structural insight into substrate and inhibitor discrimination by human P-glycoprotein. Science. 2019 02 15; 363(6428):753-756.
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Structural Perspective on Revealing and Altering Molecular Functions of Genetic Variants Linked with Diseases. Int J Mol Sci. 2019 Jan 28; 20(3).
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The Meisenheimer Complex as a Paradigm in Drug Discovery: Reversible Covalent Inhibition through C67 of the ATP Binding Site of PLK1. Cell Chem Biol. 2018 09 20; 25(9):1107-1116.e4.