DNA gyrase B inhibitors;
virtual screening;
indolin-2-one;
D O I:
10.1016/j.bmcl.2005.08.068
中图分类号:
R914 [药物化学];
学科分类号:
100701 ;
摘要:
We describe here the fragment-based design of potent DNA gyrase inhibitors. Using the tools of virtual screening and NMR spectroscopy we identified the binding of two low-molecular weight fragments (2-aminobenzimidazole and indolin-2-one) to the 24 kDa N-terminal fragment of DNA gyrase B. Further in silico optimization of indolin-2-one led to the discovery of potent DNA gyrase inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Angehrn, P
;
Buchmann, S
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Buchmann, S
;
Funk, C
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h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Funk, C
;
Goetschi, E
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Goetschi, E
;
Gmuender, H
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Gmuender, H
;
Hebeisen, P
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Hebeisen, P
;
Kostrewa, D
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Kostrewa, D
;
Link, H
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h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Link, H
;
Luebbers, T
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Luebbers, T
;
Masciadri, R
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Masciadri, R
;
Nielsen, J
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h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Nielsen, J
;
Reindl, P
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Reindl, P
;
Ricklin, F
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Ricklin, F
;
Schmitt-Hoffmann, A
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Schmitt-Hoffmann, A
;
Theil, FP
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Angehrn, P
;
Buchmann, S
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Buchmann, S
;
Funk, C
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Funk, C
;
Goetschi, E
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Goetschi, E
;
Gmuender, H
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Gmuender, H
;
Hebeisen, P
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Hebeisen, P
;
Kostrewa, D
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Kostrewa, D
;
Link, H
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Link, H
;
Luebbers, T
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Luebbers, T
;
Masciadri, R
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Masciadri, R
;
Nielsen, J
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Nielsen, J
;
Reindl, P
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Reindl, P
;
Ricklin, F
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Ricklin, F
;
Schmitt-Hoffmann, A
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland
Schmitt-Hoffmann, A
;
Theil, FP
论文数: 0引用数: 0
h-index: 0
机构:
F Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, SwitzerlandF Hoffmann La Roche & Co Ltd, Div Pharmaceut, Preclin Res, CH-4070 Basel, Switzerland