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超越 C、H、O 和 N!美国 FDA 批准药物结构的元素组成分析。

Beyond C, H, O, and N! Analysis of the elemental composition of U.S. FDA approved drug architectures.

机构信息

Department of Chemistry and Biochemistry, 1306 E. University Boulevard, University of Arizona , Tucson, Arizona 85721, United States.

出版信息

J Med Chem. 2014 Dec 11;57(23):9764-73. doi: 10.1021/jm501105n. Epub 2014 Oct 6.

Abstract

The diversity of elements among U.S. Food and Drug Administration (FDA) approved pharmaceuticals is analyzed and reported, with a focus on atoms other than carbon, hydrogen, oxygen, and nitrogen. Our analysis reveals that sulfur, chlorine, fluorine, and phosphorous represent about 90% of elemental substitutions, with sulfur being the fifth most used element followed closely by chlorine, then fluorine and finally phosphorous in the eighth place. The remaining 10% of substitutions are represented by 16 other elements of which bromine, iodine, and iron occur most frequently. The most detailed parts of our analysis are focused on chlorinated drugs as a function of approval date, disease condition, chlorine attachment, and structure. To better aid our chlorine drug analyses, a new poster showcasing the structures of chlorinated pharmaceuticals was created specifically for this study. Phosphorus, bromine, and iodine containing drugs are analyzed closely as well, followed by a discussion about other elements.

摘要

对美国食品和药物管理局 (FDA) 批准的药物中的元素多样性进行了分析和报告,重点关注碳、氢、氧和氮以外的原子。我们的分析表明,硫、氯、氟和磷约占元素取代的 90%,其中硫是第五大常用元素,紧随其后的是氯,然后是氟,最后是第八位的磷。其余 10%的取代由其他 16 种元素表示,其中溴、碘和铁最常见。我们分析的最详细部分集中在作为批准日期、疾病状况、氯附着和结构函数的氯化药物上。为了更好地帮助我们进行氯药物分析,专门为此研究创建了一个新的海报,展示了氯化药物的结构。还对含磷、溴和碘的药物进行了密切分析,然后讨论了其他元素。

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