设计药物:不断发展的药物发现科学。

L A Wanke, R F DuBose
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引用次数: 0

摘要

药物发现和设计是药物开发的基础。直到最近,大多数药物都是通过随机筛选发现或通过分子修饰开发的。新技术正在彻底改变药物开发的这一阶段。合理的药物设计,利用强大的计算机和计算化学,利用x射线晶体学、核磁共振波谱学和三维定量结构活性关系分析,通过虚拟现实建模创造出高度特异性的、具有生物活性的分子。复杂的筛选技术正在消除除最活跃的先导化合物以外的所有先导化合物。这些新技术有望带来更有效、更安全、更具成本效益的药物,同时最大限度地缩短药物开发时间,实现利润最大化。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Designer drugs: the evolving science of drug discovery.

Drug discovery and design are fundamental to drug development. Until recently, most drugs were discovered through random screening or developed through molecular modification. New technologies are revolutionizing this phase of drug development. Rational drug design, using powerful computers and computational chemistry and employing X-ray crystallography, nuclear magnetic resonance spectroscopy, and three-dimensional quantitative structure activity relationship analysis, is creating highly specific, biologically active molecules by virtual reality modeling. Sophisticated screening technologies are eliminating all but the most active lead compounds. These new technologies promise more efficacious, safe, and cost-effective medications, while minimizing drug development time and maximizing profits.

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