"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.
View timeline visualization
| Year | Major Topic | Minor Topic | Total |
|---|
| 1994 | 8 | 6 | 14 |
| 1995 | 7 | 6 | 13 |
| 1996 | 7 | 10 | 17 |
| 1997 | 5 | 15 | 20 |
| 1998 | 6 | 20 | 26 |
| 1999 | 6 | 15 | 21 |
| 2000 | 6 | 25 | 31 |
| 2001 | 8 | 19 | 27 |
| 2002 | 12 | 33 | 45 |
| 2003 | 16 | 29 | 45 |
| 2004 | 25 | 26 | 51 |
| 2005 | 23 | 36 | 59 |
| 2006 | 21 | 46 | 67 |
| 2007 | 31 | 48 | 79 |
| 2008 | 21 | 59 | 80 |
| 2009 | 27 | 45 | 72 |
| 2010 | 34 | 39 | 73 |
| 2011 | 23 | 55 | 78 |
| 2012 | 27 | 43 | 70 |
| 2013 | 28 | 40 | 68 |
| 2014 | 26 | 34 | 60 |
| 2015 | 17 | 32 | 49 |
| 2016 | 26 | 29 | 55 |
| 2017 | 16 | 20 | 36 |
| 2018 | 23 | 27 | 50 |
| 2019 | 18 | 27 | 45 |
| 2020 | 19 | 17 | 36 |
| 2021 | 11 | 23 | 34 |
| 2022 | 6 | 6 | 12 |
| 2023 | 1 | 5 | 6 |
| 2024 | 1 | 9 | 10 |
Below are the most recent publications written about "Drug Design" by people in Profiles.
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Adagrasib in the Treatment of KRAS p.G12C Positive Advanced NSCLC: Design, Development and Place in Therapy. Drug Des Devel Ther. 2024; 18:5673-5683.
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Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands. J Comput Aided Mol Des. 2024 Oct 16; 38(1):33.
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Use of protease substrate specificity screening in the rational design of selective protease inhibitors with unnatural amino acids: Application to HGFA, matriptase, and hepsin. Protein Sci. 2024 Aug; 33(8):e5110.
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Design and Synthesis of sEH/HDAC6 Dual-Targeting Inhibitors for the Treatment of Inflammatory Pain. J Med Chem. 2024 Aug 08; 67(15):12887-12911.
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AlphaFold2 structures guide prospective ligand discovery. Science. 2024 Jun 21; 384(6702):eadn6354.
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Building Block-Centric Approach to DNA-Encoded Library Design. J Chem Inf Model. 2024 Jun 24; 64(12):4661-4672.
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De novo generation of multi-target compounds using deep generative chemistry. Nat Commun. 2024 May 06; 15(1):3636.
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So Let's Design a Peptide . . . A Physician's Approach. J Drugs Dermatol. 2024 May 01; 23(5):347-352.
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Psychoplastogenic DYRK1A Inhibitors with Therapeutic Effects Relevant to Alzheimer's Disease. J Med Chem. 2024 May 09; 67(9):6922-6937.
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Recent advances in multitarget-directed ligands via in silico drug discovery. Drug Discov Today. 2024 Mar; 29(3):103904.