官能团极性对螺环和双螺环-1,2,4-三氧戊环抗疟活性的影响。
Effect of functional group polarity on the antimalarial activity of spiro and dispiro-1,2,4-trioxolanes.
作者信息
Dong Yuxiang, Tang Yuanqing, Chollet Jacques, Matile Hugues, Wittlin Sergio, Charman Susan A, Charman William N, Tomas Josefina Santo, Scheurer Christian, Snyder Christopher, Scorneaux Bernard, Bajpai Saroj, Alexander Scott A, Wang Xiaofang, Padmanilayam Maniyan, Cheruku Srinivasa R, Brun Reto, Vennerstrom Jonathan L
机构信息
College of Pharmacy, University of Nebraska Medical Center, 986025 Nebraska Medical Center, Omaha, NE, USA.
出版信息
Bioorg Med Chem. 2006 Sep 15;14(18):6368-82. doi: 10.1016/j.bmc.2006.05.041. Epub 2006 Jun 8.
Based on the structures of several lipophilic trioxolane antimalarial prototypes, we set out to determine which functional groups were associated with good antimalarial profiles and identify more polar (lower LogP/LogD) lead compounds with good physicochemical properties. More lipophilic trioxolanes tended to have better oral activities than their more polar counterparts. Trioxolanes with a wide range of neutral and basic, but not acidic, functional groups had good antimalarial profiles.
基于几种亲脂性三氧杂环戊烷抗疟原型的结构，我们着手确定哪些官能团与良好的抗疟活性相关，并鉴定出具有良好物理化学性质的极性更强（更低的LogP/LogD）的先导化合物。亲脂性更强的三氧杂环戊烷往往比极性更强的同类化合物具有更好的口服活性。具有广泛中性和碱性而非酸性官能团的三氧杂环戊烷具有良好的抗疟活性。
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