Bioorganic & Medicinal Chemistry 2008-06-01

Towards the first inhibitors of trihydroxynaphthalene reductase from Curvularia lunata: synthesis of artificial substrate, homology modelling and initial screening.

Mojca Brunskole, Bogdan Stefane, Karmen Zorko, Marko Anderluh, Jure Stojan, Tea Lanisnik Rizner, Stanislav Gobec

文献索引：Bioorg. Med. Chem. 16 , 5881-9, (2008)

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摘要

Trihydroxynaphthalene reductase (3HNR) is an essential enzyme in the biosynthesis of fungal melanin and it represents an emerging target for the development of new fungicides and antimicotics. To promote the discovery of new inhibitors, an improved chemical synthesis of the artificial substrate 2,3-dihydro-2,5-dihydroxy-4H-benzopyran-4-one (DDBO) was developed. A series of compounds were screened on 3HNR from Curvularia lunata, a known plant pathogen and an opportunistic human pathogen, and several structurally diverse hits were obtained. Homology modelling of 3HNR from C. lunata can explain their binding modes and will enable further structure-based design of new and improved inhibitors.

相关化合物

  • 萘普生
  • 对乙酰氨基苯酚
  • 1,3-茚满二酮
  • 双氯芬酸钠
  • 酮洛芬
  • 非那西丁
  • 布洛芬

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