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

Abstract：

: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.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Brunskole M,Stefane B,Zorko K,Anderluh M,Stojan J,Lanisnik Rizner T,Gobec S

doi

10.1016/j.bmc.2008.04.066

subject

Has Abstract

pub_date

2008-06-01 00:00:00

pages

5881-9

issue

11

eissn

0968-0896

issn

1464-3391

pii

S0968-0896(08)00394-5

journal_volume

16

pub_type

杂志文章

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