基于结构的虚拟筛选加速了 G 蛋白偶联受体药物的发现。
Structure-Based Virtual Screening Accelerates GPCR Drug Discovery.
机构信息
Cellular Signaling Laboratory, International Research Center for Sensory Biology and Technology of MOST, Key Laboratory of Molecular Biophysics of Ministry of Education, School of Life Science and Technology, Huazhong University of Science and Technology, Wuhan, China; Université de Paris, Institut Cochin, CNRS, INSERM, F-75014 Paris, France.
Université de Paris, Institut Cochin, CNRS, INSERM, F-75014 Paris, France.
出版信息
Trends Pharmacol Sci. 2020 Jun;41(6):382-384. doi: 10.1016/j.tips.2020.04.001. Epub 2020 Apr 24.
Virtual ligand screening (VLS) against high-resolution structures of G-protein-coupled receptors (GPCRs) is likely to become the next-generation drug design approach of choice. Stein and colleagues recently demonstrated the feasibility of such an approach by discovering novel chemical scaffolds for the melatonin MT receptor and compounds with unique in vivo activities.
针对 G 蛋白偶联受体 (GPCR) 高分辨率结构的虚拟配体筛选 (VLS) 很可能成为下一代药物设计的首选方法。Stein 及其同事最近通过发现褪黑素 MT 受体的新型化学支架和具有独特体内活性的化合物证明了这种方法的可行性。
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