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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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| Publicado no: | Bioorg Med Chem Lett |
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| Main Authors: | , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | 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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