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Docking studies of benzylidene anabaseine interactions with α7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): application to the design of related α7 selective ligands.
Kombo DC, Mazurov A, Tallapragada K, Hammond PS, Chewning J, Hauser TA, Vasquez-Valdivieso M, Yohannes D, Talley TT, Taylor P, Caldwell WS. Kombo DC, et al. Eur J Med Chem. 2011 Nov;46(11):5625-35. doi: 10.1016/j.ejmech.2011.09.033. Epub 2011 Sep 29. Eur J Med Chem. 2011. PMID: 21986237 Free PMC article.
Discovery of 3-(5-chloro-2-furoyl)-3,7-diazabicyclo[3.3.0]octane (TC-6683, AZD1446), a novel highly selective α4β2 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders.
Mazurov AA, Miao L, Bhatti BS, Strachan JP, Akireddy S, Murthy S, Kombo D, Xiao YD, Hammond P, Zhang J, Hauser TA, Jordan KG, Miller CH, Speake JD, Gatto GJ, Yohannes D. Mazurov AA, et al. J Med Chem. 2012 Nov 8;55(21):9181-94. doi: 10.1021/jm3006542. Epub 2012 Jul 27. J Med Chem. 2012. PMID: 22793665
Discovery of (2S,3R)-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a selective α7 nicotinic acetylcholine receptor agonist, for the treatment of cognitive disorders.
Mazurov AA, Kombo DC, Hauser TA, Miao L, Dull G, Genus JF, Fedorov NB, Benson L, Sidach S, Xiao Y, Hammond PS, James JW, Miller CH, Yohannes D. Mazurov AA, et al. J Med Chem. 2012 Nov 26;55(22):9793-809. doi: 10.1021/jm301048a. Epub 2012 Nov 13. J Med Chem. 2012. PMID: 23126648
3D molecular descriptors important for clinical success.
Kombo DC, Tallapragada K, Jain R, Chewning J, Mazurov AA, Speake JD, Hauser TA, Toler S. Kombo DC, et al. Among authors: mazurov aa. J Chem Inf Model. 2013 Feb 25;53(2):327-42. doi: 10.1021/ci300445e. Epub 2013 Jan 18. J Chem Inf Model. 2013. PMID: 23244494
26 results