Discovery and Structure-Based Optimization of Adenain Inhibitors was written by MacSweeney, Aengus;Grosche, Philipp;Ellis, David;Combrink, Keith;Erbel, Paul;Hughes, Nicola;Sirockin, Finton;Melkko, Samu;Bernardi, Anna;Ramage, Paul;Jarousse, Nadine;Altmann, Eva. And the article was included in ACS Medicinal Chemistry Letters in 2014.Category: pyrimidines This article mentions the following:
The cysteine protease adenain is the essential protease of adenovirus and, as such, represents a promising target for the treatment of ocular and other adenoviral infections. Through a concise two-pronged hit discovery approach we identified tetrapeptide nitrile 1 and pyrimidine nitrile 2 as complementary starting points for adenain inhibition. These hits enabled the first high-resolution X-ray cocrystal structures of adenain with inhibitors bound and revealed the binding mode of 1 and 2. The screening hits were optimized by a structure-guided medicinal chem. strategy into low nanomolar drug-like inhibitors of adenain. In the experiment, the researchers used many compounds, for example, 2-Chloropyrimidine-4-carbonitrile (cas: 75833-38-4Category: pyrimidines).
2-Chloropyrimidine-4-carbonitrile (cas: 75833-38-4) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Category: pyrimidines
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia