 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 |
|---|
| 1991 | 0 | 1 | 1 | | 1997 | 1 | 0 | 1 | | 2002 | 1 | 0 | 1 | | 2003 | 2 | 0 | 2 | | 2004 | 0 | 2 | 2 | | 2005 | 1 | 1 | 2 | | 2006 | 1 | 3 | 4 | | 2007 | 3 | 2 | 5 | | 2008 | 0 | 2 | 2 | | 2010 | 1 | 2 | 3 | | 2011 | 2 | 2 | 4 | | 2012 | 1 | 0 | 1 | | 2013 | 0 | 2 | 2 | | 2014 | 1 | 1 | 2 | | 2016 | 2 | 1 | 3 | | 2017 | 1 | 1 | 2 |
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Below are the most recent publications written about "Drug Design" by people in Profiles.
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Schwehm C, Kellam B, Garces AE, Hill SJ, Kindon ND, Bradshaw TD, Li J, Macdonald SJ, Rowedder JE, Stoddart LA, Stocks MJ. Design and Elaboration of a Tractable Tricyclic Scaffold To Synthesize Druglike Inhibitors of Dipeptidyl Peptidase-4 (DPP-4), Antagonists of the C-C Chemokine Receptor Type 5 (CCR5), and Highly Potent and Selective Phosphoinositol-3 Kinase d (PI3Kd) Inhibitors. J Med Chem. 2017 Feb 23; 60(4):1534-1554.
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Cuny GD, Suebsuwong C, Ray SS. Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitors: a patent and scientific literature review (2002-2016). Expert Opin Ther Pat. 2017 Jun; 27(6):677-690.
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Chobanian HR, Guo Y, Pio B, Tang H, Teumelsan N, Clements M, Frie J, Ferguson R, Guo Z, Thomas-Fowlkes BS, Felix JP, Liu J, Kohler M, Priest B, Hampton C, Pai LY, Corona A, Metzger J, Tong V, Joshi EM, Xu L, Owens K, Maloney K, Sullivan K, Pasternak A. The design and synthesis of novel spirocyclic heterocyclic sulfone ROMK inhibitors as diuretics. Bioorg Med Chem Lett. 2017 Feb 15; 27(4):1109-1114.
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Clancy CE, An G, Cannon WR, Liu Y, May EE, Ortoleva P, Popel AS, Sluka JP, Su J, Vicini P, Zhou X, Eckmann DM. Multiscale Modeling in the Clinic: Drug Design and Development. Ann Biomed Eng. 2016 Sep; 44(9):2591-610.
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Newton R, Bowler KA, Burns EM, Chapman PJ, Fairweather EE, Fritzl SJR, Goldberg KM, Hamilton NM, Holt SV, Hopkins GV, Jones SD, Jordan AM, Lyons AJ, Nikki March H, McDonald NQ, Maguire LA, Mould DP, Purkiss AG, Small HF, Stowell AIJ, Thomson GJ, Waddell ID, Waszkowycz B, Watson AJ, Ogilvie DJ. The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity. Eur J Med Chem. 2016 Apr 13; 112:20-32.
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Kathman SG, Xu Z, Statsyuk AV. A fragment-based method to discover irreversible covalent inhibitors of cysteine proteases. J Med Chem. 2014 Jun 12; 57(11):4969-74.
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Pytel D, Seyb K, Liu M, Ray SS, Concannon J, Huang M, Cuny GD, Diehl JA, Glicksman MA. Enzymatic Characterization of ER Stress-Dependent Kinase, PERK, and Development of a High-Throughput Assay for Identification of PERK Inhibitors. J Biomol Screen. 2014 Aug; 19(7):1024-34.
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Gorla SK, Kavitha M, Zhang M, Chin JE, Liu X, Striepen B, Makowska-Grzyska M, Kim Y, Joachimiak A, Hedstrom L, Cuny GD. Optimization of benzoxazole-based inhibitors of Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase. J Med Chem. 2013 May 23; 56(10):4028-43.
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Mistry SN, Baker JG, Fischer PM, Hill SJ, Gardiner SM, Kellam B. Synthesis and in vitro and in vivo characterization of highly ß1-selective ß-adrenoceptor partial agonists. J Med Chem. 2013 May 23; 56(10):3852-65.
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Schein CH, Chen D, Ma L, Kanalas JJ, Gao J, Jimenez ME, Sower LE, Walter MA, Gilbertson SR, Peterson JW. Pharmacophore selection and redesign of non-nucleotide inhibitors of anthrax edema factor. Toxins (Basel). 2012 Nov 08; 4(11):1288-300.
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