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Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
2 Results for "
computational modeling
" in MedChemExpress (MCE) Product Catalog:
Products (2)
2 Results for "computational modeling" in MCE Product Catalog:
Cat. No.: HY-189688
Target:
Research Areas:
tBRCT-IN-1 (Compound 12) is a BRCA1 tBRCT domain inhibitor that is expected to block the recognition of phosphopeptides by the tandem BRCT domain. tBRCT-IN-1 is predicted by computational modeling to bind to the BRCA1 tBRCT domain. tBRCT-IN-1 can be used in cancer research .
Cat. No.: HY-L0115V
10,091 compounds
ASINEX has elaborated a library of diverse macrocycles using an effective tool box of synthetic methods. The resulting scaffolds are novel, tremendously diverse, medchem-relevant, macrocyclic frameworks.
Macrocyles tend to be larger than traditional screening molecules which make them perfect discovery tools for targets with shallow or extended binding sites. At the same time, their unique character based on restricted flexibility and ability to form intra-molecular hydrogen bonds allows for design approaches effectively optimizing properties such asaqueous solubility and membrane permeability. Many of these macrocycles have been tested for aqueous and DMSO solubility with cut-offs applied at 10 mM in DMSO and 50 µM in PBS (pH 7.4) followed by PAMPA permeability assay.
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Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
