"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 | 0 | 1 | 1 |
| 2002 | 1 | 0 | 1 |
| 2003 | 1 | 2 | 3 |
| 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 |
To return to the timeline,
click here.
Below are the most recent publications written about "Drug Design" by people in Profiles.
-
Plascencia-Villa G, Perry G. Exploring Molecular Targets for Mitochondrial Therapies in Neurodegenerative Diseases. Int J Mol Sci. 2023 Aug 06; 24(15).
-
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.
-
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).
-
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.
-
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.
-
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.
-
Gangapuram M, Eyunni S, Zhang W, Redda KK. Design and Synthesis of Tetrahydroisoquinoline Derivatives as Anti-Angiogenesis and Anti-Cancer Agents. Anticancer Agents Med Chem. 2021; 21(18):2505-2511.
-
Shao Y, Zhang QC. Targeting RNA structures in diseases with small molecules. Essays Biochem. 2020 12 07; 64(6):955-966.
-
Kar S, Leszczynski J. Open access in silico tools to predict the ADMET profiling of drug candidates. Expert Opin Drug Discov. 2020 12; 15(12):1473-1487.
-
Tilekar K, Upadhyay N, Hess JD, Macias LH, Mrowka P, Aguilera RJ, Meyer-Almes FJ, Iancu CV, Choe JY, Ramaa CS. Structure guided design and synthesis of furyl thiazolidinedione derivatives as inhibitors of GLUT 1 and GLUT 4, and evaluation of their anti-leukemic potential. Eur J Med Chem. 2020 Sep 15; 202:112603.