Reengineering the pharmaceutical industry by crash-testing molecules.
Reengineering the pharmaceutical industry by crash-testing molecules.
复制标题
通过对分子进行碰撞测试来重新设计制药行业。
DOI：
10.1016/s1359-6446(05)03557-9
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发表时间：
2005
期刊：
影响因子：
--
通讯作者：
Ekins,Sean
中科院分区：
文献类型：
--
作者：
Swaan,PeterW;Ekins,Sean
The recent decline in drug approvals and the increase in late-stage failures indicate that the ability to generate and screen large numbers of molecules has not improved the drug pipeline. Perhaps the pharmaceutical industry should follow the example of the automotive industry and agree upon a shared modeling language with vendors and academics to enable integration of predictive computational tools across the industry. This will then enable the virtual ‘crash-testing’ of drugs before synthesis, biological testing and, most importantly, clinical trials. This represents an ambitiously progressive approach using the models for simulating every stage of the drug discovery and development process. Combining the relevant computational algorithms into a grand unified model would enable prioritization of the best ideas before pursuing a discovery program, selecting a target or synthesizing a molecule. The successful application of these virtual crash-testing principles by any of its current proponents could revitalize the pharmaceutical industry so that failure is avoided.
