药品
药物发现
计算生物学
毒品类别
药物开发
机制(生物学)
人类疾病
疾病
生物
人类基因组
药物靶点
药理学
医学
基因组
生物信息学
遗传学
基因
病理
哲学
认识论
作者
Rita Santos,Oleg Ursu,Anna Gaulton,A. Patrícia Bento,Ramesh S. Donadi,Cristian Bologa,Anneli Karlsson,Bissan Al‐Lazikani,Anne Hersey,Tudor I. Oprea,John P. Overington
摘要
The success of mechanism-based drug discovery depends on the definition of the drug target. This definition becomes even more important as we try to link drug response to genetic variation, understand stratified clinical efficacy and safety, rationalize the differences between drugs in the same therapeutic class and predict drug utility in patient subgroups. However, drug targets are often poorly defined in the literature, both for launched drugs and for potential therapeutic agents in discovery and development. Here, we present an updated comprehensive map of molecular targets of approved drugs. We curate a total of 893 human and pathogen-derived biomolecules through which 1,578 US FDA-approved drugs act. These biomolecules include 667 human-genome-derived proteins targeted by drugs for human disease. Analysis of these drug targets indicates the continued dominance of privileged target families across disease areas, but also the growth of novel first-in-class mechanisms, particularly in oncology. We explore the relationships between bioactivity class and clinical success, as well as the presence of orthologues between human and animal models and between pathogen and human genomes. Through the collaboration of three independent teams, we highlight some of the ongoing challenges in accurately defining the targets of molecular therapeutics and present conventions for deconvoluting the complexities of molecular pharmacology and drug efficacy.
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