Wanke L A, DuBose R F
Immunex Corp., Seattle, WA 98101, USA.
Pharm Pract Manag Q. 1998 Jul;18(2):13-22.
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.
药物发现与设计是药物研发的基础。直到最近，大多数药物都是通过随机筛选发现的，或者是通过分子修饰开发的。新技术正在彻底改变药物研发的这一阶段。合理药物设计利用强大的计算机和计算化学，并采用X射线晶体学、核磁共振光谱以及三维定量构效关系分析，通过虚拟现实建模创造出高度特异性的生物活性分子。先进的筛选技术正在淘汰除最具活性的先导化合物之外的所有化合物。这些新技术有望带来更有效、更安全且更具成本效益的药物，同时将药物研发时间减至最短并实现利润最大化。
