Drug Design

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"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.

MeSH information

Definition | Details | More General Concepts | Related Concepts | More Specific Concepts

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".

Analytical, Diagnostic and Therapeutic Techniques and Equipment [E]
Investigative Techniques [E05]
Drug Discovery [E05.295]
Drug Design [E05.295.500]
Natural Sciences [H]
Natural Science Disciplines [H01]
Biological Science Disciplines [H01.158]
Pharmacology [H01.158.703]
Chemistry, Pharmaceutical [H01.158.703.007]
Drug Discovery [H01.158.703.007.675]
Drug Design [H01.158.703.007.675.500]
Chemistry [H01.181]
Chemistry, Pharmaceutical [H01.181.466]
Drug Discovery [H01.181.466.675]
Drug Design [H01.181.466.675.500]

Below are MeSH descriptors whose meaning is related to "Drug Design".

Below are MeSH descriptors whose meaning is more specific than "Drug Design".

Drug Design
Polypharmacology

publications

Timeline | Most Recent

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.

Bar chart showing 105 publications over 25 distinct years, with a maximum of 14 publications in 2007

To see the data from this visualization as text, click here.

Year	Major Topic	Minor Topic	Total
1995	1	1	2
1997	0	2	2
1998	0	1	1
1999	0	1	1
2000	0	1	1
2001	0	2	2
2002	3	1	4
2003	0	2	2
2004	1	2	3
2005	2	2	4
2006	3	3	6
2007	3	11	14
2008	2	9	11
2009	4	2	6
2010	3	9	12
2011	4	5	9
2012	1	4	5
2013	3	3	6
2014	1	0	1
2015	4	1	5
2016	2	0	2
2017	1	2	3
2018	1	0	1
2020	1	0	1
2021	0	1	1

Below are the most recent publications written about "Drug Design" by people in Profiles.

Srour AM, Panda SS, Mostafa A, Fayad W, El-Manawaty MA, A F Soliman A, Moatasim Y, El Taweel A, Abdelhameed MF, Bekheit MS, Ali MA, Girgis AS. Synthesis of aspirin-curcumin mimic conjugates of potential antitumor and anti-SARS-CoV-2 properties. Bioorg Chem. 2021 12; 117:105466.

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Glasgow A, Glasgow J, Limonta D, Solomon P, Lui I, Zhang Y, Nix MA, Rettko NJ, Zha S, Yamin R, Kao K, Rosenberg OS, Ravetch JV, Wiita AP, Leung KK, Lim SA, Zhou XX, Hobman TC, Kortemme T, Wells JA. Engineered ACE2 receptor traps potently neutralize SARS-CoV-2. Proc Natl Acad Sci U S A. 2020 11 10; 117(45):28046-28055.

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Bushra R, Rehman A, Ghayas S, Zafar F, Ali H, Shafiq Y, Khalid F, Khan MA, Hanif A, Mustapha O. Formulation design, characterization and optimization of cinitapride (1mg) immediate release tablets using direct compression technology. Pak J Pharm Sci. 2018 Nov; 31(6 (Supplementary):2725-2731.

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Swain NA, Batchelor D, Beaudoin S, Bechle BM, Bradley PA, Brown AD, Brown B, Butcher KJ, Butt RP, Chapman ML, Denton S, Ellis D, Galan SRG, Gaulier SM, Greener BS, de Groot MJ, Glossop MS, Gurrell IK, Hannam J, Johnson MS, Lin Z, Markworth CJ, Marron BE, Millan DS, Nakagawa S, Pike A, Printzenhoff D, Rawson DJ, Ransley SJ, Reister SM, Sasaki K, Storer RI, Stupple PA, West CW. Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7. J Med Chem. 2017 08 24; 60(16):7029-7042.

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Klein-Szanto AJ, Bassi DE. Proprotein convertase inhibition: Paralyzing the cell's master switches. Biochem Pharmacol. 2017 09 15; 140:8-15.

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Aka AA, Rappaport JA, Pattison AM, Sato T, Snook AE, Waldman SA. Guanylate cyclase C as a target for prevention, detection, and therapy in colorectal cancer. Expert Rev Clin Pharmacol. 2017 May; 10(5):549-557.

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Gottfridsson C, Panfilov S, Ebrahimi A, Gigger E, Pollard C, Henderson S, Ambery P, Raichlen JS. Drug-induced blood pressure increase - recommendations for assessment in clinical and non-clinical studies. Expert Opin Drug Saf. 2017 Feb; 16(2):215-225.

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Waldman SA, Terzic A. Managing Innovation to Maximize Value Along the Discovery-Translation-Application Continuum. Clin Pharmacol Ther. 2017 Jan; 101(1):8-12.

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Malachowski WP, Winters M, DuHadaway JB, Lewis-Ballester A, Badir S, Wai J, Rahman M, Sheikh E, LaLonde JM, Yeh SR, Prendergast GC, Muller AJ. O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1. Eur J Med Chem. 2016 Jan 27; 108:564-576.

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Napper A. Spanning breadth and depth in ASSAY and Drug Development Technologies. Assay Drug Dev Technol. 2015 Mar; 13(2):57.

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