Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7802900 | European Journal of Medicinal Chemistry | 2011 | 11 Pages |
Abstract
⺠Docking anabaseine analogs into Ac reproduces experimentally-observed binding modes. ⺠Docking predicts that these analogs exhibit similar binding modes in Bt, Ls and α7. ⺠OH group of DMXBA metabolite acts as an HBD to Ac, Bt and α7, but as an HBA to Ls. ⺠Docking into Ls scores better than Bt and Ac, as surrogate to predict binding to α7. ⺠Designed related quinuclidine series show improved affinity and selectivity for α7.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
David C. Kombo, Anatoly Mazurov, Kartik Tallapragada, Philip S. Hammond, Joseph Chewning, Terry A. Hauser, Montserrat Vasquez-Valdivieso, Daniel Yohannes, Todd T. Talley, Palmer Taylor, William S. Caldwell,