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Ligand Recognition and Activation Mechanism of the Alicarboxylic Acid Receptors

文献类型：期刊论文

作者Liu, Yanru6; Zhou, Ziwei5; Guan, Fenghui4; Han, Zhen6; Zhu, Cheng6; Ye, Sheng1,6; Yu, Xuekui2,3,5; Qiao, Anna6
刊名JOURNAL OF MOLECULAR BIOLOGY
出版日期2024-11-15
卷号436期号:22页码:14
ISSN号0022-2836
DOI10.1016/j.jmb.2024.168795
通讯作者Zhu, Cheng(cheng_zhu@tju.edu.cn) ; Ye, Sheng(sye@tju.edu.cn) ; Yu, Xuekui(xkyu@simm.ac.cn) ; Qiao, Anna(anna.qiao@tju.edu.cn)
英文摘要Endogenous ligands for alicarboxylic acid receptors are important metabolic intermediates that play a significant role in regulating body energy and maintaining homeostasis. However, the molecular mechanism of alicarboxylate ligand-mediated counterpart receptors is currently unclear. We resolve the active state structure of HCA2-niacin, and the structural analysis explains the mechanism of niacin selectivity in the alicarboxylic acid receptors family. Homology modeling, molecular dynamics simulation and mutagenesis experiments reveal different ligand recognition modes and activation mechanisms of the alicarboxylic acid receptors, analyze the flexibility of the binding pocket and elucidate the important role of disulfide bonds on receptor activation and ligand binding. These more detailed molecular mechanisms further elucidate the relevant mechanisms of human metabolism and provide key clues for subsequent drug development of alicarboxylic acid receptors. (c) 2024 Elsevier Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.
WOS关键词PROTEIN-COUPLED RECEPTORS ; BEAM-INDUCED MOTION ; NICOTINIC-ACID ; MOLECULAR-IDENTIFICATION ; STRUCTURAL BASIS ; DISCOVERY ; AGONIST ; BINDING ; GPR91 ; VISUALIZATION
资助项目Ministry of Science and Technology[2020YFA0908500] ; National Natural Science Foundation of China[31971127] ; National Natural Science Foundation of China[32000851] ; Fundamental Research Funds for the Central Universities
WOS研究方向Biochemistry & Molecular Biology
语种英语
WOS记录号WOS:001331607900001
出版者ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
源URL[http://119.78.100.183/handle/2S10ELR8/313790]  
专题新药研究国家重点实验室
通讯作者Zhu, Cheng; Ye, Sheng; Yu, Xuekui; Qiao, Anna
作者单位1.Zhejiang Univ, Life Sci Inst, Hangzhou 310058, Zhejiang, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, Cryo Electron Microscopy Res Ctr, Shanghai 201203, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Zhejiang Canc Hosp, Hangzhou Inst Med, Chinese Acad Sci, Hangzhou 310000, Peoples R China
5.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China
6.Tianjin Univ, Sch Life Sci, Tianjin Key Lab Funct & Applicat Biol Macromol Str, 92 Weijin Rd, Tianjin 300072, Peoples R China
推荐引用方式
GB/T 7714		 Liu, Yanru,Zhou, Ziwei,Guan, Fenghui,et al. Ligand Recognition and Activation Mechanism of the Alicarboxylic Acid Receptors[J]. JOURNAL OF MOLECULAR BIOLOGY,2024,436(22):14.
APA Liu, Yanru.,Zhou, Ziwei.,Guan, Fenghui.,Han, Zhen.,Zhu, Cheng.,...&Qiao, Anna.(2024).Ligand Recognition and Activation Mechanism of the Alicarboxylic Acid Receptors.JOURNAL OF MOLECULAR BIOLOGY,436(22),14.
MLA Liu, Yanru,et al."Ligand Recognition and Activation Mechanism of the Alicarboxylic Acid Receptors".JOURNAL OF MOLECULAR BIOLOGY 436.22(2024):14.

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来源：上海药物研究所

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