Discovery of Covalent Enzyme Inhibitors Using Virtual Docking of Covalent Fragments

Here we present a virtual docking screen of 1648 commercially available covalent fragments, and identified covalent inhibitors of cysteine protease cathepsin L. These inhibitors did not inhibit closely related protease cathepsin B. Thus, we have established virtual docking of covalent fragments as a...

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Bibliografiset tiedot
Julkaisussa:Bioorg Med Chem Lett
Päätekijät: Chowdhury, Sandipan Roy, Kennedy, Steven, Zhu, Kai, Mishra, Rama, Chuong, Patrick, Nguyen, Alyssa-uyen, Kathman, Stefan G., Statsyuk, Alexander V.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: 2018
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Article
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC6319256/
https://ncbi.nlm.nih.gov/pubmed/30455147
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2018.11.019
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