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    • 6. 发明申请
    • METHOD FOR DETERMINING PHARMACEUTICALLY ACTIVE SUBSTANCES
    • 用于确定药物活性物质的方法
    • WO2002068956A2
    • 2002-09-06
    • PCT/EP2002/001472
    • 2002-02-13
    • MERCK PATENT GMBHANZALI, SoheilaBARNICKEL, GerhardCEZANNE, BertragmKRUG, MichaelMÄRZ, Joachim
    • ANZALI, SoheilaBARNICKEL, GerhardCEZANNE, BertragmKRUG, MichaelMÄRZ, Joachim
    • G01N33/50
    • G01N33/50
    • The present invention relates to a method for determining pharmaceutically active substances with the aid of test series, in which the action of a large number of different substances on one or more biological targets is tested and a hit list of those substances which actually or apparently have shown a pharmaceutical action on at least one biological target is prepared, whereupon a selection is made from the hits for more detailed investigations of pharmaceutical activity and/or applicability. In order to provide a method of the type stated at the outset, by means of which the success rate can be significantly increased, the following features are proposed: a) Determination of the chemical structure of the substances in the hit list, b) splitting of the structure of the substances into individual components or fragments, c) classification of the substances into groups having in each case identical and/or virtually identical or similar fragments, d) evaluation of the pharmacological activity of the various groups, e) comparison of the pharmacological activity of the various groups and f) selection of substances from those groups which, on the basis of the evaluation and of the comparison according to steps d and e, have the highest activity.
    • 本发明涉及一种借助于试验系列确定药物活性物质的方法,其中测试了大量不同物质对一种或多种生物靶标的作用,以及实际上或显然具有 显示了对至少一种生物靶标的药物作用,因此从命中进行了对药物活性和/或适用性的更详细研究的选择。 为了提供一开始所述类型的方法,通过该方法可以显着提高成功率,提出以下特征:a)确定命中列表中物质的化学结构,b)分裂 的物质结构分成单独的组分或片段,c)将物质分类为在每种情况下具有相同和/或实质上相同或相似的片段的组,d)评估各组的药理活性,e)比较 各组的药理活性,f)从根据步骤d和e的评价和比较的基础中选出具有最高活性的那些组的物质。