How Structural Biologists and the Protein Data Bank Contributed to Recent FDA New Drug Approvals
How Structural Biologists and the Protein Data Bank Contributed to Recent FDA New Drug Approvals
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DOI：
10.1016/j.str.2018.11.007
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发表时间：
2019-02-05
期刊：
影响因子：
5.7
通讯作者：
Burley, Stephen K.
中科院分区：
文献类型：
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作者：
Westbrook, John D.;Burley, Stephen K.
2010-2016 年美国食品和药物管理局批准的 210 个新分子实体（NME；新药）的发现和开发是由全球结构生物学家生成并由 PDB 以开放获取的方式分发的 3D 结构信息推动的。其中 94% 的 NME 的分子靶标是已知的。 PDB 档案包含 5,914 个包含已知靶点之一和/或新药的结构，为所有治疗领域最近批准的 NME 中的 88% 提供结构覆盖。 5,914 个结构中有一半以上由 PDB 免费发布和提供，在药物批准前 10 年以上没有使用限制。引文分析显示，这 5,914 个 PDB 结构极大地影响了出版物中报告的有关 NME 目标的大量公共资助研究，这些研究激励生物制药公司对产生 NME 的发现和开发项目进行投资。
Discovery and development of 210 new molecular entities (NMEs; new drugs) approved by the US Food and Drug Administration 2010-2016 was facilitated by 3D structural information generated by structural biologists worldwide and distributed on an open-access basis by the PDB. The molecular targets for 94% of these NMEs are known. The PDB archive contains 5,914 structures containing one of the known targets and/or a new drug, providing structural coverage for 88% of the recently approved NMEs across all therapeutic areas. More than half of the 5,914 structures were published and made available by the PDB at no charge, with no restrictions on usage >10 years before drug approval. Citation analyses revealed that these 5,914 PDB structures significantly affected the very large body of publicly funded research reported in publications on the NME targets that motivated biopharmaceutical company investment in discovery and development programs that produced the NMEs.