Application of 17153-20-7, Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, and a compound is mentioned, 17153-20-7, 3-Methylisoxazole-4-carboxylic acid, introducing its new discovery.
Fragment-assisted hit investigation involving integrated HTS and fragment screening: Application to the identification of phosphodiesterase 10A (PDE10A) inhibitors
Fragment-based drug design (FBDD) relies on direct elaboration of fragment hits and typically requires high resolution structural information to guide optimization. In fragment-assisted drug discovery (FADD), fragments provide information to guide selection and design but do not serve as starting points for elaboration. We describe FADD and high-throughput screening (HTS) campaign strategies conducted in parallel against PDE10A where fragment hit co-crystallography was not available. The fragment screen led to prioritized fragment hits (IC50’s ?500 muM), which were used to generate a hypothetical core scaffold. Application of this scaffold as a filter to HTS output afforded a 4 muM hit, which, after preparation of a small number of analogs, was elaborated into a 16 nM lead. This approach highlights the strength of FADD, as fragment methods were applied despite the absence of co-crystallographical information to efficiently identify a lead compound for further optimization.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Application of 17153-20-7. In my other articles, you can also check out more blogs about 17153-20-7
Reference£º
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem