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Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. [1] The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein , which in turn results in a ...
Another method for drug discovery is de novo drug design, in which a prediction is made of the sorts of chemicals that might (e.g.) fit into an active site of the target enzyme. For example, virtual screening and computer-aided drug design are often used to identify new chemical moieties that may interact with a target protein.
Three Optimer discovery platforms are used for Optimer selection. [7] Each of the platforms is optimized to select Optimers according to the target type: Small molecule targets [4] [2] [12] Protein targets [13] Cells and tissues [14] [15] [16] Multiple rounds of selection and counter-selection are performed as part of each Optimer discovery ...
Forward and reverse pharmacology approaches in drug discovery. In the field of drug discovery, reverse pharmacology [1] [2] [3] also known as target-based drug discovery (TDD), [4] a hypothesis is first made that modulation of the activity of a specific protein target thought to be disease modifying will have beneficial therapeutic effects.
This approach is known as "reverse pharmacology" or "target based drug discovery" (TDD). [5] However recent statistical analysis reveals that a disproportionate number of first-in-class drugs with novel mechanisms of action come from phenotypic screening [ 6 ] which has led to a resurgence of interest in this method.
Hit to lead (H2L) also known as lead generation is a stage in early drug discovery where small molecule hits from a high throughput screen (HTS) are evaluated and undergo limited optimization to identify promising lead compounds.
Figure 1. Flow Chart of Virtual Screening [1]. Virtual screening (VS) is a computational technique used in drug discovery to search libraries of small molecules in order to identify those structures which are most likely to bind to a drug target, typically a protein receptor or enzyme.
The aim of DECL technology is to accelerate the drug discovery process and in particular early phase discovery activities such as target validation and hit identification. DECL technology involves the conjugation of chemical compounds or building blocks to short DNA fragments that serve as identification bar codes and in some cases also direct ...