Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking was written by Zhao, Hongtao;Gartenmann, Lisa;Dong, Jing;Spiliotopoulos, Dimitrios;Caflisch, Amedeo. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2014.Quality Control of 1-Tosylpiperidin-4-one This article mentions the following:
Bromodomains (BRDs) recognize acetyl-lysine modified histone tails mediating epigenetic processes. BRD4, a protein containing two bromodomains, has emerged as an attractive therapeutic target for several types of cancer as well as inflammatory diseases. Using a fragment-based in silico screening approach, we identified two small mols. that bind to the first bromodomain of BRD4 with low-micromolar affinity and favorable ligand efficiency (0.37 kcal/mol per non-hydrogen atom), selectively over other families of bromodomains. Notably, the hit rate of the fragment-based in silico approach is about 10% as only 24 putative inhibitors, from an initial library of about 9 million mols., were tested in vitro. In the experiment, the researchers used many compounds, for example, 1-Tosylpiperidin-4-one (cas: 33439-27-9Quality Control of 1-Tosylpiperidin-4-one).
1-Tosylpiperidin-4-one (cas: 33439-27-9) belongs to piperidine derivatives. The piperidine ring can be found not only in more than half of the currently known structures of alkaloids, but also in many natural or synthetic compounds with interesting biological activities. Some chemotherapeutic agents have piperidine moiety within their structure, foremost among them, vinblastine and raloxifene.Quality Control of 1-Tosylpiperidin-4-one
Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem