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High-throughput screening (HTS) is a method for scientific discovery especially used in drug discovery and relevant to the fields of biology, materials science [1] and chemistry. [ 2 ] [ 3 ] Using robotics , data processing/control software, liquid handling devices, and sensitive detectors, high-throughput screening allows a researcher to ...
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.
In high-throughput screening (HTS), one of the major goals is to select compounds (including small molecules, siRNAs, shRNA, genes, et al.) with a desired size of inhibition or activation effects. A compound with a desired size of effects in an HTS screen is called a hit.
Classical High throughput screening robotics are now being tied closer to cell biology, principally using technologies such as High-content screening.High throughput cell biology dictates methods that can take routine cell biology from low scale research to the speed and scale necessary to investigate complex systems, achieve high sample size, or efficiently screen through a collection.
Fragment-based lead discovery (FBLD) also known as fragment-based drug discovery (FBDD) is a method used for finding lead compounds as part of the drug discovery process. Fragments are small organic molecules which are small in size and low in molecular weight. [ 1 ]
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.
Diagram depicting a representative pan-assay interference compound. The drug-like molecule specifically interacts with target B, but the PAINS-like compound non-specifically interacts with multiple targets. Pan-assay interference compounds (PAINS) are chemical compounds that often give false positive results in high-throughput screens. [1]
In drug discovery high-throughput screening, it is desirable to screen a drug target against a selection of chemicals that try to take advantage of as much of the appropriate chemical space as possible. The chemical space of all possible chemical structures is extraordinarily large. Most stored chemical libraries do not typically have a fully ...