 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 UAMS Profiles 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 |
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| 2024 | 0 | 1 | 1 | | 2021 | 1 | 1 | 2 | | 2020 | 5 | 2 | 7 | | 2019 | 0 | 2 | 2 | | 2018 | 1 | 3 | 4 | | 2016 | 2 | 2 | 4 | | 2015 | 3 | 6 | 9 | | 2014 | 2 | 5 | 7 | | 2013 | 2 | 6 | 8 | | 2012 | 0 | 1 | 1 | | 2011 | 0 | 1 | 1 | | 2010 | 2 | 4 | 6 | | 2009 | 2 | 4 | 6 | | 2008 | 3 | 4 | 7 | | 2007 | 4 | 1 | 5 | | 2006 | 3 | 2 | 5 | | 2005 | 1 | 5 | 6 | | 2004 | 0 | 1 | 1 | | 2003 | 2 | 4 | 6 | | 2001 | 0 | 1 | 1 | | 2000 | 0 | 1 | 1 | | 1992 | 0 | 1 | 1 |
To return to the timeline, click here.
Below are the most recent publications written about "Drug Design" by people in Profiles over the past ten years.
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Dome PA, Jeong P, Nam G, Jang H, Rivera A, Floyd Averette A, Park E, Liao TC, Ciofani M, Wu J, Chi JA, Venters RA, Park HJ, Steinbach WJ, Juvvadi PR, Heitman J, Hong J. Structure-guided design and synthesis of C22- and C32-modified FK520 analogs with enhanced activity against human pathogenic fungi. Proc Natl Acad Sci U S A. 2025 Jan 07; 122(1):e2419883121.
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Gobeil SM, Bobay BG, Juvvadi PR, Cole DC, Heitman J, Steinbach WJ, Venters RA, Spicer LD. Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs. mBio. 2021 12 21; 12(6):e0300021.
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Yan W, Zhang L, Lv F, Moccia M, Carlomagno F, Landry C, Santoro M, Gosselet F, Frett B, Li HY. Discovery of pyrazolo-thieno[3,2-d]pyrimidinylamino-phenyl acetamides as type-II pan-tropomyosin receptor kinase (TRK) inhibitors: Design, synthesis, and biological evaluation. Eur J Med Chem. 2021 Apr 15; 216:113265.
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Gujarathi S, Zafar MK, Liu X, Eoff RL, Zheng G. A Facile Semisynthesis and Evaluation of Garcinoic Acid and Its Analogs for the Inhibition of Human DNA Polymerase ?. Molecules. 2020 Dec 11; 25(24).
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Childress AC, Beltran N, Supnet C, Weiss MD. Reviewing the role of emerging therapies in the ADHD armamentarium. Expert Opin Emerg Drugs. 2021 03; 26(1):1-16.
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Bowroju SK, Mainali N, Ayyadevara S, Penthala NR, Krishnamachari S, Kakraba S, Shmookler Reis RJ, Crooks PA. Design and Synthesis of Novel Hybrid 8-Hydroxy Quinoline-Indole Derivatives as Inhibitors of A? Self-Aggregation and Metal Chelation-Induced A? Aggregation. Molecules. 2020 08 08; 25(16).
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Lakkaniga NR, Gunaganti N, Zhang L, Belachew B, Frett B, Leung YK, Li HY. Pyrrolo[2,3-d]pyrimidine derivatives as inhibitors of RET: Design, synthesis and biological evaluation. Eur J Med Chem. 2020 Nov 15; 206:112691.
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Kumari S, Carmona AV, Tiwari AK, Trippier PC. Amide Bond Bioisosteres: Strategies, Synthesis, and Successes. J Med Chem. 2020 11 12; 63(21):12290-12358.
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He Y, Koch R, Budamagunta V, Zhang P, Zhang X, Khan S, Thummuri D, Ortiz YT, Zhang X, Lv D, Wiegand JS, Li W, Palmer AC, Zheng G, Weinstock DM, Zhou D. DT2216-a Bcl-xL-specific degrader is highly active against Bcl-xL-dependent T cell lymphomas. J Hematol Oncol. 2020 07 16; 13(1):95.
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Lakkaniga NR, Zhang L, Belachew B, Gunaganti N, Frett B, Li HY. Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for reduced myelosuppression. Eur J Med Chem. 2020 Oct 01; 203:112589.
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Klejborowska G, Urbaniak A, Maj E, Preto J, Moshari M, Wietrzyk J, Tuszynski JA, Chambers TC, Huczynski A. Synthesis, biological evaluation and molecular docking studies of new amides of 4-chlorothiocolchicine as anticancer agents. Bioorg Chem. 2020 04; 97:103664.
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McClenahan SJ, Kormos CM, Gunnell M, Hambuchen MD, Lamb P, Carroll FI, Lewin AH, Peterson EC, Owens SM. Design, synthesis and biological evaluation of a bi-specific vaccine against a-pyrrolidinovalerophenone (a-PVP) and 3,4-methylenedioxypyrovalerone (MDPV) in rats. Vaccine. 2020 01 10; 38(2):336-344.
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Saha D, Kharbanda A, Yan W, Lakkaniga NR, Frett B, Li HY. The Exploration of Chirality for Improved Druggability within the Human Kinome. J Med Chem. 2020 01 23; 63(2):441-469.
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Klejborowska G, Urbaniak A, Preto J, Maj E, Moshari M, Wietrzyk J, Tuszynski JA, Chambers TC, Huczynski A. Synthesis, biological evaluation and molecular docking studies of new amides of 4-bromothiocolchicine as anticancer agents. Bioorg Med Chem. 2019 12 01; 27(23):115144.
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Bommagani S, Penthala NR, Balasubramaniam M, Kuravi S, Caldas-Lopes E, Guzman ML, Balusu R, Crooks PA. A novel tetrazole analogue of resveratrol is a potent anticancer agent. Bioorg Med Chem Lett. 2019 01 15; 29(2):172-178.
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Majcher U, Urbaniak A, Maj E, Moshari M, Delgado M, Wietrzyk J, Bartl F, Chambers TC, Tuszynski JA, Huczynski A. Synthesis, antiproliferative activity and molecular docking of thiocolchicine urethanes. Bioorg Chem. 2018 12; 81:553-566.
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Pesek RD, Gupta SK. Emerging drugs for eosinophilic esophagitis. Expert Opin Emerg Drugs. 2018 06; 23(2):173-183.
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Stark K, Schubert I, Joshi U, Kilani B, Hoseinpour P, Thakur M, Gr?nauer P, Pfeiler S, Schmidergall T, Stockhausen S, B?umer M, Chandraratne S, von Br?hl ML, Lorenz M, Coletti R, Reese S, Laitinen I, W?rmann SM, Alg?l H, Bruns CJ, Ware J, Mackman N, Engelmann B, Massberg S. Distinct Pathogenesis of Pancreatic Cancer Microvesicle-Associated Venous Thrombosis Identifies New Antithrombotic Targets In Vivo. Arterioscler Thromb Vasc Biol. 2018 04; 38(4):772-786.
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Prather PL. Preface to DMR special edition 'Cannabinoid receptors and ligands: therapeutic drug development and abuse potential'. Drug Metab Rev. 2018 02; 50(1):1-2.
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Lee T, Bian Z, Zhao B, Hogdal LJ, Sensintaffar JL, Goodwin CM, Belmar J, Shaw S, Tarr JC, Veerasamy N, Matulis SM, Koss B, Fischer MA, Arnold AL, Camper DV, Browning CF, Rossanese OW, Budhraja A, Opferman J, Boise LH, Savona MR, Letai A, Olejniczak ET, Fesik SW. Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors. FEBS Lett. 2017 Jan; 591(1):240-251.
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Xi JB, Fang YF, Frett B, Zhu ML, Zhu T, Kong YN, Guan FJ, Zhao Y, Zhang XW, Li HY, Ma ML, Hu W. Structure-based design and synthesis of imidazo[1,2-a]pyridine derivatives as novel and potent Nek2 inhibitors with in?vitro and in?vivo antitumor activities. Eur J Med Chem. 2017 Jan 27; 126:1083-1106.
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Singh VK, Thrall KD, Hauer-Jensen M. Minipigs as models in drug discovery. Expert Opin Drug Discov. 2016 12; 11(12):1131-1134.
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Nickell JR, Culver JP, Janganati V, Zheng G, Dwoskin LP, Crooks PA. 1,4-Diphenalkylpiperidines: A new scaffold for the design of potent inhibitors of the vesicular monoamine transporter-2. Bioorg Med Chem Lett. 2016 07 01; 26(13):2997-3000.
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Zhang X, Tang K, Wang H, Liu Y, Bao B, Fang Y, Zhang X, Lu W. Design, Synthesis, and Biological Evaluation of New Cathepsin B-Sensitive Camptothecin Nanoparticles Equipped with a Novel Multifuctional Linker. Bioconjug Chem. 2016 05 18; 27(5):1267-75.
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Homberg JR, Kyzar EJ, Stewart AM, Nguyen M, Poudel MK, Echevarria DJ, Collier AD, Gaikwad S, Klimenko VM, Norton W, Pittman J, Nakamura S, Koshiba M, Yamanouchi H, Apryatin SA, Scattoni ML, Diamond DM, Ullmann JF, Parker MO, Brown RE, Song C, Kalueff AV. Improving treatment of neurodevelopmental disorders: recommendations based on preclinical studies. Expert Opin Drug Discov. 2016; 11(1):11-25.
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Thakkar S, Wang X, Khaidakov M, Dai Y, Gokulan K, Mehta JL, Varughese KI. Structure-based Design Targeted at LOX-1, a Receptor for Oxidized Low-Density Lipoprotein. Sci Rep. 2015 Nov 18; 5:16740.
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DeLoach A, Cozart M, Kiaei A, Kiaei M. A retrospective review of the progress in amyotrophic lateral sclerosis drug discovery over the last decade and a look at the latest strategies. Expert Opin Drug Discov. 2015 Oct; 10(10):1099-118.
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