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| title | chunk | source | category | tags | date_saved | instance |
|---|---|---|---|---|---|---|
| Drug design | 4/4 | https://en.wikipedia.org/wiki/Drug_design | reference | science, encyclopedia | 2026-05-05T09:50:04.282020+00:00 | kb-cron |
== Examples == A particular example of rational drug design involves the use of three-dimensional information about biomolecules obtained from such techniques as X-ray crystallography and NMR spectroscopy. Computer-aided drug design in particular becomes much more tractable when there is a high-resolution structure of a target protein bound to a potent ligand. This approach to drug discovery is sometimes referred to as structure-based drug design. The first unequivocal example of the application of structure-based drug design leading to an approved drug is the carbonic anhydrase inhibitor dorzolamide, which was approved in 1995. Another case study in rational drug design is imatinib, a tyrosine kinase inhibitor designed specifically for the bcr-abl fusion protein that is characteristic for Philadelphia chromosome-positive leukemias (chronic myelogenous leukemia and occasionally acute lymphocytic leukemia). Imatinib is substantially different from previous drugs for cancer, as most agents of chemotherapy simply target rapidly dividing cells, not differentiating between cancer cells and other tissues. Additional examples include:
== Drug screening == Types of drug screening include phenotypic screening, high-throughput screening, and virtual screening. Phenotypic screening is characterized by the process of screening drugs using cellular or animal disease models to identify compounds that alter the phenotype and produce beneficial disease-related effects. Emerging technologies in high-throughput screening substantially enhance processing speed and decrease the required detection volume. Virtual screening is completed by computer, enabling a large number of molecules can be screened with a short cycle and low cost. Virtual screening uses a range of computational methods that empower chemists to reduce extensive virtual libraries into more manageable sizes.
== Case studies ==
== Criticism == It has been argued that the highly rigid and focused nature of rational drug design suppresses serendipity in drug discovery.
== See also ==
== References ==
== External links == Drug+Design at the U.S. National Library of Medicine Medical Subject Headings (MeSH) Drug Design Org