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In silico discovery of 2-amino-4-(2,4-dihydroxyphenyl)thiazoles as novel inhibitors of DNA gyrase B
Brvar, Matjaž (Author), Perdih, Andrej (Author), Oblak, Marko (Author), Peterlin-Mašič, Lucija (Author), Šolmajer, Tomaž (Author)

URLURL - Presentation file, Visit http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TF9-4Y0D65B-4&_user=4776866&_coverDate=02%2F01%2F2010&_rdoc=37&_fmt=high&_orig=browse&_srch=doc-info%28%23toc%235221%232010%23999799996%231609156%23FLA%23display%23Volume%29&_cdi=5221&_sort=d&_docanchor=&_ct=119&_acct=C000033658&_version=1&_urlVersion=0&_userid=4776866&md5=b2e1f7ea99a2c644a30a697a78491e94 This link opens in a new window

Abstract
Cyclothialidines are a class of bacterial DNA gyrase B (GyrB) subunit inhibitors, targeting its ATP-binding site. Starting from the available structural information on cyclothialidine GR122222X (2), an in silico virtual screening campaign was designed combining molecular docking calculations with three-dimensional structure-based pharmacophore information. A novel class of 2-amino-4-(2,4-dihydroxyphenyl)thiazole based inhibitors (5-9) with low micromolar antigyrase activity was discovered.

Language:English
Keywords:DNA encim giraze, virtualno rešetanje, molekularno modeliranje, protibakterijske učinkovine
Work type:Not categorized (r6)
Tipology:1.01 - Original Scientific Article
Organization:FFA - Faculty of Pharmacy
Year:2010
Number of pages:str. 958-962
Numbering:vol. 20, iss. 3
UDC:543
ISSN on article:0960-894X
DOI:10.1016/j.bmcl.2009.12.060 Link is opened in a new window
COBISS.SI-ID:2731377 Link is opened in a new window
Views:395
Downloads:106
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Record is a part of a journal

Title:Bioorganic & Medicinal Chemistry Letters
Shortened title:Bioorg. med. chem. lett.
Publisher:Pergamon
ISSN:0960-894X
COBISS.SI-ID:34486272 This link opens in a new window

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