"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 |
|---|
| 1995 | 0 | 1 | 1 |
| 1999 | 1 | 1 | 2 |
| 2000 | 0 | 2 | 2 |
| 2001 | 1 | 1 | 2 |
| 2002 | 1 | 0 | 1 |
| 2003 | 1 | 3 | 4 |
| 2004 | 2 | 3 | 5 |
| 2005 | 0 | 2 | 2 |
| 2006 | 1 | 5 | 6 |
| 2007 | 3 | 4 | 7 |
| 2008 | 0 | 7 | 7 |
| 2009 | 1 | 6 | 7 |
| 2010 | 2 | 2 | 4 |
| 2011 | 4 | 5 | 9 |
| 2012 | 2 | 7 | 9 |
| 2013 | 1 | 5 | 6 |
| 2014 | 1 | 3 | 4 |
| 2015 | 3 | 4 | 7 |
| 2016 | 5 | 3 | 8 |
| 2017 | 4 | 2 | 6 |
| 2018 | 5 | 3 | 8 |
| 2019 | 2 | 1 | 3 |
| 2020 | 2 | 2 | 4 |
| 2021 | 2 | 1 | 3 |
| 2022 | 0 | 2 | 2 |
| 2023 | 1 | 1 | 2 |
| 2024 | 1 | 0 | 1 |
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click here.
Below are the most recent publications written about "Drug Design" by people in Profiles.
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Wu K, Kwon SH, Zhou X, Fuller C, Wang X, Vadgama J, Wu Y. Overcoming Challenges in Small-Molecule Drug Bioavailability: A Review of Key Factors and Approaches. Int J Mol Sci. 2024 Dec 06; 25(23).
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Elbatrawy AA, Ademoye TA, Alnakhala H, Tripathi A, Plascencia-Villa G, Zhu X, Perry G, Dettmer U, Fortin JS. Exploring the rhodanine universe: Design and synthesis of fluorescent rhodanine-based derivatives as anti-fibrillar and anti-oligomer agents against a-synuclein and 2N4R tau. Bioorg Med Chem. 2024 Dec 15; 116:117990.
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Dorogan M, Namballa HK, Harding WW. Natural Product-Inspired Dopamine Receptor Ligands. J Med Chem. 2024 Aug 08; 67(15):12463-12484.
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Plascencia-Villa G, Perry G. Exploring Molecular Targets for Mitochondrial Therapies in Neurodegenerative Diseases. Int J Mol Sci. 2023 Aug 06; 24(15).
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Wu K, Karapetyan E, Schloss J, Vadgama J, Wu Y. Advancements in small molecule drug design: A structural perspective. Drug Discov Today. 2023 10; 28(10):103730.
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Togre NS, Vargas AM, Bhargavi G, Mallakuntla MK, Tiwari S. Fragment-Based Drug Discovery against Mycobacteria: The Success and Challenges. Int J Mol Sci. 2022 Sep 14; 23(18).
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Kar S, Roy K, Leszczynski J. In Silico Tools and Software to Predict ADMET of New Drug Candidates. Methods Mol Biol. 2022; 2425:85-115.
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Sun S, Karki C, Aguilera J, Lopez Hernandez AE, Sun J, Li L. Computational Study on the Function of Palmitoylation on the Envelope Protein in SARS-CoV-2. J Chem Theory Comput. 2021 Oct 12; 17(10):6483-6490.
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Tilekar K, Hess JD, Upadhyay N, Bianco AL, Schweipert M, Laghezza A, Loiodice F, Meyer-Almes FJ, Aguilera RJ, Lavecchia A, C S R. Thiazolidinedione "Magic Bullets" Simultaneously Targeting PPAR? and HDACs: Design, Synthesis, and Investigations of their In Vitro and In Vivo Antitumor Effects. J Med Chem. 2021 05 27; 64(10):6949-6971.
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Lopez A, Havranek B, Papadantonakis GA, Islam SM. In silico screening and molecular dynamics simulation of deleterious PAH mutations responsible for phenylketonuria genetic disorder. Proteins. 2021 06; 89(6):683-696.