Recent Advances in Structure-Based Drug Design Targeting Class A G Protein-Coupled Receptors Utilizing Crystal Structures and Computational Simulations,Journal of Medicinal Chemistry

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Recent Advances in Structure-Based Drug Design Targeting Class A G Protein-Coupled Receptors Utilizing Crystal Structures and Computational Simulations
Journal of Medicinal Chemistry ( IF 6.8 ) Pub Date : 2017-07-21 00:00:00 , DOI: 10.1021/acs.jmedchem.6b01453
Yoonji Lee ₁ , Shaherin Basith ₁ , Sun Choi ₁

Affiliation

G protein-coupled receptors (GPCRs) represent the largest and most physiologically important integral membrane protein family, and these receptors respond to a wide variety of physiological and environmental stimuli. GPCRs are among the most critical therapeutic targets for numerous human diseases, and approximately one-third of the currently marketed drugs target this receptor family. The recent breakthroughs in GPCR structural biology have significantly contributed to our understanding of GPCR function, ligand binding, and pharmacological action as well as to the design of new drugs. This perspective highlights the latest advances in GPCR structures with a focus on the receptor–ligand interactions of each receptor family in class A nonrhodopsin GPCRs as well as the structural features for their activation, biased signaling, and allosteric mechanisms. The current state-of-the-art methodologies of structure-based drug design (SBDD) approaches in the GPCR research field are also discussed.

中文翻译：

利用晶体结构和计算模拟靶向AG类蛋白偶联受体的基于结构的药物设计的最新进展

G蛋白偶联受体（GPCR）代表了最大和最重要的生理上重要的完整膜蛋白家族，这些受体对各种各样的生理和环境刺激作出反应。GPCR是许多人类疾病的最关键治疗靶标之一，目前市售的药物中约有三分之一靶向该受体家族。GPCR结构生物学的最新突破极大地促进了我们对GPCR功能，配体结合和药理作用以及新药设计的理解。该观点重点介绍了GPCR结构的最新进展，重点关注A类非视紫红质GPCR中每个受体家族的受体-配体相互作用，以及它们的激活，偏向信号传导，和变构机制。还讨论了GPCR研究领域当前基于结构的药物设计（SBDD）方法的最新方法。

更新日期：2017-07-22

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