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The molecular design follows the \u201csymmetry\u2013complementarity\u201d concept between homogeneously functionalized polycationic \u03b2CD derivatives and protective antigen (PA), a component of anthrax toxin known to form <jats:italic>C<\/jats:italic><jats:sub>7<\/jats:sub>\u2010symmetric pores on the cell membrane used by lethal and edema factors to gain access to the cytosol. The synthesis and antitoxin activity of a collection of \u03b2CD derivatives differing in the number, arrangement, and face location of the cationic elements are reported herein. These results set the basis for a structure\u2013activity relationship development program of new candidates to combat the anthrax threat.<\/jats:p>","DOI":"10.1002\/cmdc.201000419","type":"journal-article","created":{"date-parts":[[2010,12,7]],"date-time":"2010-12-07T11:40:12Z","timestamp":1291722012000},"page":"181-192","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":26,"title":["Symmetry Complementarity\u2010Guided Design of Anthrax Toxin Inhibitors Based on \u03b2\u2010Cyclodextrin: Synthesis and Relative Activities of Face\u2010Selective Functionalized Polycationic Clusters"],"prefix":"10.1002","volume":"6","author":[{"given":"Alejandro","family":"D\u00edaz\u2010Moscoso","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alejandro","family":"M\u00e9ndez\u2010Ardoy","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fernando","family":"Ortega\u2010Caballero","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Juan M.","family":"Benito","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carmen","family":"Ortiz\u2005Mellet","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jacques","family":"Defaye","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tanisha M.","family":"Robinson","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Adiamseged","family":"Yohannes","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vladimir A.","family":"Karginov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 M.","family":"Garc\u00eda\u2005Fern\u00e1ndez","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2010,12,7]]},"reference":[{"key":"e_1_2_6_1_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm901024b"},{"key":"e_1_2_6_2_2","unstructured":"\u00a0"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biochem.75.103004.142728"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1042\/BJ20061891"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.2007.24"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1517\/14712598.7.6.843"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1083\/jcb.200211018"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1186\/1476-8518-2-5"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.109563"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0306552101"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0502159102"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1001-958"},{"key":"e_1_2_6_13_2","unstructured":"\u00a0"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200800278"},{"key":"e_1_2_6_15_2","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1204"},{"key":"e_1_2_6_16_2","unstructured":"\u00a0"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0507488102"},{"key":"e_1_2_6_18_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2005.07.054"},{"key":"e_1_2_6_19_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2010.03.070"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00693-06"},{"key":"e_1_2_6_21_2","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00009-08"},{"key":"e_1_2_6_22_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2007.05.058"},{"key":"e_1_2_6_23_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja050934t"},{"key":"e_1_2_6_24_2","unstructured":"The terms \u201cskirt\u2010shaped\u201d and \u201cmedusa\u2010shaped\u201d were coined to refer to CD derivatives functionalized at either the secondary or primary hydroxy groups respectively. 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