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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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化合物效率与先导物优化
, PP. 1755-1762
Keywords: 化合物效率,成药性,微观结构,慢离解药物
Abstract:
活性和成药性是药物的两大支柱，分别是由分子的微观结构与宏观性质所决定。结构的优化是在多维度空间中进行的多参数分子操作。由体外活性过渡到体内的药理效应有许多不确定性，需要在早期优化阶段用分子的多维度规（metrics）评价化合物的质量或效率。本文在讨论表征化合物活性和成药性参数的基础上，阐述调整微观结构中药物-受体结合热力学的焓与熵、结合动力学的离解速率对提高化合物效率的影响，说明优化微观结构对成药性的重要意义。
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