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October 8, 2013Journal of Medicinal Chemistry1,606 citations

Data-Mining for Sulfur and Fluorine: An Evaluation of Pharmaceuticals To Reveal Opportunities for Drug Design and Discovery

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EIElizabeth A. IlardiUniversity of ArizonaEVEdon VitakuNorthwestern UniversityJNJón T. NjardarsonUniversity of Arizona

Key Points

  • To analyze historical integration and structural diversity trends of sulfur and fluorine across approved pharmaceuticals to guide future drug discovery.
  • Data-mined chemical structures, FDA approval dates, and functional subclasses across 1,969 therapeutics spanning 12 disease categories.
  • Evaluated the chronological evolution of sulfur-containing functional groups and fluorine substitution over a 50-year period.
  • Demonstrated widespread adoption and increasing frequency of fluorine integration across therapeutics spanning 12 clinical disease indications.
  • Characterized substantial structural diversity and distinct functional roles of sulfur motifs introduced into commercial pharmaceuticals over the past 50 years.

Abstract

Among carbon, hydrogen, oxygen, and nitrogen, sulfur and fluorine are both leading constituents of the pharmaceuticals that comprise our medicinal history. In efforts to stimulate the minds of both the general public and expert scientist, statistics were collected from the trends associated with therapeutics spanning 12 disease categories (a total of 1969 drugs) from our new graphical montage compilation: disease focused pharmaceuticals posters. Each poster is a vibrant display of a collection of pharmaceuticals (including structural image, Food and Drug Administration (FDA) approval date, international nonproprietary name (INN), initial market name, and a color-coded subclass of function) organized chronologically and classified according to an association with a particular clinical indication. Specifically, the evolution and structural diversity of sulfur and the popular integration of fluorine into drugs introduced over the past 50 years are evaluated. The presented qualitative conclusions in this article aim to promote innovative insights into drug development.

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Cite This Study

Ilardi et al. (2013) studied this question.

synapsesocial.com/papers/69d7b0aeb843b2be994906fahttps://doi.org/10.1021/jm401375q
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