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<p>A screen of ~ 4000 actinomycetes strains identified <i>Streptomyces</i> sp. W3009 as a producer of the antituberculosis agent pyridomycin. Using a mass spectrometry-based metabolomics approach coupled with molecular networking, we identified seven pyridomycin derivatives, six of which were novel. Three of these novel compounds were linear, featuring a unique 3-hydroxypicolinic acid–<span>l</span>-threonine–3-(3-pyridyl)-<span>l</span>-alanine (3HP–T–3PA) scaffold. Their structures were elucidated via detailed NMR studies. While two cyclic derivatives (<b>4</b> and <b>5</b>) showed modest antitubercular activity, the three linear derivatives, despite possessing the key 3HP–T–3PA moiety, exhibited no inhibitory activity. This intensive MS-based approach demonstrates the important role of such techniques in the discovery of novel biologically active core structures and their natural derivatives.</p> Graphical Abstract <p></p>

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Discovery of pyridomycin derivatives as InhA inhibitors from actinomycetes through molecular networking and an In-House tandem mass library

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年2月2日

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  • Byeongsan Lee,
  • Gwi Ja Hwang,
  • Jun-Pil Jang,
  • Beomcheol Park,
  • Juhee Won,
  • Sun Young Kim,
  • Minjeong Woo,
  • Connor Wood,
  • Bang Yeon Hwang,
  • Jae-Hyuk Jang,
  • Young-Soo Hong

摘要

A screen of ~ 4000 actinomycetes strains identified Streptomyces sp. W3009 as a producer of the antituberculosis agent pyridomycin. Using a mass spectrometry-based metabolomics approach coupled with molecular networking, we identified seven pyridomycin derivatives, six of which were novel. Three of these novel compounds were linear, featuring a unique 3-hydroxypicolinic acid–l-threonine–3-(3-pyridyl)-l-alanine (3HP–T–3PA) scaffold. Their structures were elucidated via detailed NMR studies. While two cyclic derivatives (4 and 5) showed modest antitubercular activity, the three linear derivatives, despite possessing the key 3HP–T–3PA moiety, exhibited no inhibitory activity. This intensive MS-based approach demonstrates the important role of such techniques in the discovery of novel biologically active core structures and their natural derivatives.

Graphical Abstract