Computer-aided design of arylphthalazines as potential smoothened receptor antagonists (Q2836555)
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scientific article; zbMATH DE number 6183432
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Computer-aided design of arylphthalazines as potential smoothened receptor antagonists |
scientific article; zbMATH DE number 6183432 |
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Computer-aided design of arylphthalazines as potential smoothened receptor antagonists (English)
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3 July 2013
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smoothened receptor antagonists
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activity-structure relations
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molecular field topology analysis
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comparative molecular similarity indices analysis
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The goal is to propose a model of activity-structure relations for antagonists. A comparative analysis of activity charts for molecular field topology analysis and comparative molecular similarity indices analysis demonstrates a good coherence. A virtual screening method is used for the synthesis of the new antagonists.
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