"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 |
|---|
| 1999 | 1 | 1 | 2 |
| 2000 | 0 | 1 | 1 |
| 2001 | 0 | 1 | 1 |
| 2002 | 0 | 2 | 2 |
| 2003 | 0 | 1 | 1 |
| 2004 | 1 | 0 | 1 |
| 2005 | 0 | 3 | 3 |
| 2006 | 0 | 2 | 2 |
| 2007 | 2 | 6 | 8 |
| 2008 | 0 | 3 | 3 |
| 2009 | 0 | 1 | 1 |
| 2010 | 1 | 7 | 8 |
| 2011 | 1 | 4 | 5 |
| 2012 | 0 | 7 | 7 |
| 2013 | 2 | 1 | 3 |
| 2014 | 4 | 6 | 10 |
| 2015 | 3 | 7 | 10 |
| 2016 | 7 | 10 | 17 |
| 2017 | 6 | 6 | 12 |
| 2018 | 1 | 10 | 11 |
| 2019 | 2 | 2 | 4 |
| 2020 | 3 | 6 | 9 |
| 2021 | 2 | 4 | 6 |
| 2022 | 2 | 0 | 2 |
| 2024 | 1 | 1 | 2 |
| 2025 | 2 | 1 | 3 |
| 2026 | 1 | 0 | 1 |
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Below are the most recent publications written about "Drug Design" by people in Profiles.
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Computational Ligand-Binding Site Prediction. Adv Exp Med Biol. 2026; 1496:193-216.
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Design, synthesis, and biological evaluation of Benzimidazole-Aminopyrimidine hybrids as selective P38a MAPK inhibitors targeting Neuroinflammation in an AlCl3-induced rat model of Alzheimer's disease. Bioorg Chem. 2026 02; 169:109391.
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Design, Optimization, and Development of RIPK1 Degraders with Improved Pharmacokinetic and Pharmacodynamic Properties. J Med Chem. 2025 Nov 13; 68(21):22246-22263.
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Design and Synthesis of Potent and Selective Urea-linked Benzenesulfonamide Analogs as Carbonic Anhydrase II Inhibitors. Eur J Pharm Sci. 2025 Oct 01; 213:107233.
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A Gram-negative-selective antibiotic that spares the gut microbiome. Nature. 2024 06; 630(8016):429-436.
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Computationally restoring the potency of a clinical antibody against Omicron. Nature. 2024 05; 629(8013):878-885.
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Structure-based design of bitopic ligands for the ?-opioid receptor. Nature. 2023 01; 613(7945):767-774.
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Design, synthesis, and biological evaluation of a small molecule oral agonist of the glucagon-like-peptide-1 receptor. J Biol Chem. 2022 05; 298(5):101889.
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1-Indanone and 1,3-indandione Derivatives as Ligands for Misfolded a-Synuclein Aggregates. ChemMedChem. 2022 01 19; 17(2):e202100611.
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Design and construction of a stereochemically diverse piperazine-based DNA-encoded chemical library. Bioorg Med Chem. 2021 10 15; 48:116387.