 Drug Design
"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
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| MeSH Number(s) |
E05.295.500 H01.158.703.007.675.500 H01.181.466.675.500
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| Concept/Terms |
Drug Design- Drug Design
- Design, Drug
- Designs, Drug
- Drug Designs
Drug Modeling- Drug Modeling
- Drug Modelings
- Modeling, Drug
- Modelings, Drug
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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 |
|---|
| 1992 | 0 | 2 | 2 | | 1993 | 1 | 3 | 4 | | 1995 | 2 | 4 | 6 | | 1996 | 1 | 0 | 1 | | 1998 | 3 | 2 | 5 | | 1999 | 0 | 1 | 1 | | 2000 | 1 | 2 | 3 | | 2002 | 0 | 2 | 2 | | 2003 | 1 | 5 | 6 | | 2004 | 0 | 3 | 3 | | 2005 | 3 | 6 | 9 | | 2006 | 1 | 5 | 6 | | 2007 | 1 | 4 | 5 | | 2008 | 3 | 8 | 11 | | 2009 | 1 | 6 | 7 | | 2010 | 5 | 5 | 10 | | 2011 | 7 | 4 | 11 | | 2012 | 5 | 8 | 13 | | 2013 | 4 | 9 | 13 | | 2014 | 1 | 2 | 3 | | 2015 | 2 | 1 | 3 | | 2016 | 3 | 5 | 8 | | 2017 | 1 | 7 | 8 | | 2018 | 0 | 5 | 5 | | 2019 | 0 | 4 | 4 | | 2020 | 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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Vann KR, Pal D, Morales GA, Burgoyne AM, Durden DL, Kutateladze TG. Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets. Sci Rep. 2020 07 21; 10(1):12027.
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Cruz-Torres I, Backos DS, Herson PS. Characterization and Optimization of the Novel Transient Receptor Potential Melastatin 2 Antagonist tatM2NX. Mol Pharmacol. 2020 02; 97(2):102-111.
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Abraham AD, Esquer H, Zhou Q, Tomlinson N, Hamill BD, Abbott JM, Li L, Pike LA, Rinaldetti S, Ramirez DA, Lunghofer PJ, Gomez JD, Schaack J, Nemkov T, D'Alessandro A, Hansen KC, Gustafson DL, Messersmith WA, LaBarbera DV. Drug Design Targeting T-Cell Factor-Driven Epithelial-Mesenchymal Transition as a Therapeutic Strategy for Colorectal Cancer. J Med Chem. 2019 11 27; 62(22):10182-10203.
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Marchetti C. The NLRP3 Inflammasome as a Pharmacological Target. J Cardiovasc Pharmacol. 2019 10; 74(4):285-296.
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Mant CT, Jiang Z, Gera L, Davis T, Nelson KL, Bevers S, Hodges RS. De Novo Designed Amphipathic a-Helical Antimicrobial Peptides Incorporating Dab and Dap Residues on the Polar Face To Treat the Gram-Negative Pathogen, Acinetobacter baumannii. J Med Chem. 2019 04 11; 62(7):3354-3366.
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Leal AD, Krishnamurthy A, Head L, Messersmith WA. Antibody drug conjugates under investigation in phase I and phase II clinical trials for gastrointestinal cancer. Expert Opin Investig Drugs. 2018 11; 27(11):901-916.
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Vicens Q, Mondragón E, Reyes FE, Coish P, Aristoff P, Berman J, Kaur H, Kells KW, Wickens P, Wilson J, Gadwood RC, Schostarez HJ, Suto RK, Blount KF, Batey RT. Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem Biol. 2018 10 19; 13(10):2908-2919.
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Hu Z, Tanji H, Jiang S, Zhang S, Koo K, Chan J, Sakaniwa K, Ohto U, Candia A, Shimizu T, Yin H. Small-Molecule TLR8 Antagonists via Structure-Based Rational Design. Cell Chem Biol. 2018 10 18; 25(10):1286-1291.e3.
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Babiker HM, Glode AE, Cooke LS, Mahadevan D. Ublituximab for the treatment of CD20 positive B-cell malignancies. Expert Opin Investig Drugs. 2018 Apr; 27(4):407-412.
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Ching T, Himmelstein DS, Beaulieu-Jones BK, Kalinin AA, Do BT, Way GP, Ferrero E, Agapow PM, Zietz M, Hoffman MM, Xie W, Rosen GL, Lengerich BJ, Israeli J, Lanchantin J, Woloszynek S, Carpenter AE, Shrikumar A, Xu J, Cofer EM, Lavender CA, Turaga SC, Alexandari AM, Lu Z, Harris DJ, DeCaprio D, Qi Y, Kundaje A, Peng Y, Wiley LK, Segler MHS, Boca SM, Swamidass SJ, Huang A, Gitter A, Greene CS. Opportunities and obstacles for deep learning in biology and medicine. J R Soc Interface. 2018 04; 15(141).
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