"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 |
|---|
| 2002 | 0 | 1 | 1 |
| 2003 | 0 | 1 | 1 |
| 2004 | 1 | 0 | 1 |
| 2005 | 0 | 1 | 1 |
| 2006 | 1 | 0 | 1 |
| 2007 | 0 | 2 | 2 |
| 2008 | 0 | 2 | 2 |
| 2009 | 2 | 2 | 4 |
| 2010 | 2 | 0 | 2 |
| 2011 | 2 | 1 | 3 |
| 2012 | 4 | 0 | 4 |
| 2013 | 3 | 0 | 3 |
| 2014 | 1 | 1 | 2 |
| 2015 | 1 | 4 | 5 |
| 2016 | 0 | 2 | 2 |
| 2017 | 0 | 2 | 2 |
| 2018 | 8 | 7 | 15 |
| 2019 | 2 | 1 | 3 |
| 2020 | 2 | 2 | 4 |
| 2021 | 0 | 1 | 1 |
| 2023 | 0 | 1 | 1 |
| 2024 | 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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Computer-Aided Design and Biological Evaluation of Diazaspirocyclic D4R Antagonists. ACS Chem Neurosci. 2024 Jun 19; 15(12):2396-2407.
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Carbohydrate-Small Molecule Hybrids as Lead Compounds Targeting IL-6 Signaling. Molecules. 2023 Jan 09; 28(2).
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Design of 99mTc-labeled zinc-chelating imaging probe for SPECT imaging of the pancreas. Bioorg Med Chem Lett. 2021 11 15; 52:128385.
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Analyzing FDA-approved drugs for compliance of pharmacokinetic principles: should there be a critical screening parameter in drug designing protocols? Expert Opin Drug Metab Toxicol. 2021 Apr; 17(4):351-354.
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Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur J Med Chem. 2020 Aug 15; 200:112412.
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Evolution of a 4-Benzyloxy-benzylamino Chemotype to Provide Efficacious, Potent, and Isoform Selective PPARa Agonists as Leads for Retinal Disorders. J Med Chem. 2020 03 26; 63(6):2854-2876.
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Pharmacophore-based designing of putative ROS-1 targeting agents for NSCLC. Mol Divers. 2021 May; 25(2):1091-1102.
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Discovery of N-(2-(Benzylamino)-2-oxoethyl)benzamide analogs as a novel scaffold of pancreatic ß-cell protective agents against endoplasmic reticulum stress. Chem Biol Drug Des. 2020 03; 95(3):388-393.
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Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and Trypanosoma cruzi Cruzain. J Med Chem. 2019 10 24; 62(20):9026-9044.
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Design, synthesis, and evaluation of potent novel peroxisome proliferator-activated receptor ? indole partial agonists. Bioorg Med Chem Lett. 2019 11 15; 29(22):126664.