Studies of Interaction Between GABA and Mutant GABAaR

doi:10.7503/cjcu20120319

Chem. J. Chinese Universities ›› 2012, Vol. 33 ›› Issue (12): 2708.doi: 10.7503/cjcu20120319

• Physical Chemistry • Previous Articles Next Articles

Studies of Interaction Between GABA and Mutant GABAaR

WEN Xia-Xia¹, NAN Shi-Bin¹, HUANG Ying², REN Tian-Rui¹, YAO Jian-Hua²

1. Key Laboratory of Resource Chemistry, Ministry of Education, College of Life and Environment Science, Shanghai Normal University, Shanghai 200234, China;
2. Shanghai Institute of Organic Chemistry, Chinese Academy Sciences, Shanghai 200032, China

Received:2012-04-09 Online:2012-12-10 Published:2012-11-20
Contact: Tian-Rui REN E-mail:trren@shnu.edu.cn;yaojh@mail.sioc.ac.cn

Abstract

Abstract:

Homology modeling and docking are important technologies in computer-aided drug design, which can explain the interactions between ligands and receptors. In this study, a rat γ-aminobutyric acid a-type receptor(GABAaR) model and its β205Tyr and β157Tyr mutant receptor models were built by homology modeling. The interactions between γ-aminobutyric acid(GABA) and the GABAaR and its mutants were studied by molecular docking, and the result show that the docking energy of the mutant receptors increases significantily and the biological activity of GABA decreases when Tyr changes to Phe; the docking energy becomes lower than that of the original receptor when Tyr changes to 4-F-Phe. In addition, the impact of β157Tyr mutations on the interaction between receptors and ligands is much more striking than that of β205Tyr when β157Tyr is closer to the ligand.

Key words: γ-Aminobutyric acid a-type receptor, Homology modeling, Amino acid mutation, Active site, Molecular docking

CLC Number:

O641

TrendMD:

WEN Xia-Xia, NAN Shi-Bin, HUANG Ying, REN Tian-Rui, YAO Jian-Hua. Studies of Interaction Between GABA and Mutant GABAaR[J]. Chem. J. Chinese Universities, 2012, 33(12): 2708.

[1]	ZHOU Leilei, CHENG Haiyang, ZHAO Fengyu. Research Progress of CO₂ Hydrogenation over Pd-based Heterogeneous Catalysts [J]. Chem. J. Chinese Universities, 2022, 43(7): 20220279.
[2]	GAO Zhiwei, LI Junwei, SHI Sai, FU Qiang, JIA Junru, AN Hailong. Analysis of Gating Characteristics of TRPM8 Channel Based on Molecular Dynamics [J]. Chem. J. Chinese Universities, 2022, 43(6): 20220080.
[3]	ZHOU Ying, HE Peinan, FENG Haisong, ZHANG Xin. Optimal Distribution of Active Sites of CO₂ Reduction Reaction Catalyzed by Diatomic Site M-N-C [J]. Chem. J. Chinese Universities, 2022, 43(2): 20210640.
[4]	LEI Xiaotong, JIN Yiqing, MENG Xuanyu. Prediction of the Binding Site of PIP₂ in the TREK-1 Channel Based on Molecular Modeling [J]. Chem. J. Chinese Universities, 2021, 42(8): 2550.
[5]	SHUAI Die, ZHAO Meijuan, CHEN Bingnian, WANG Li. Inhibitory Effect of Four Kinds of Keegin-type Phosphomolybdate on Tyrosinase and Melanin Formation and Its Antioxidant Activities [J]. Chem. J. Chinese Universities, 2021, 42(12): 3579.
[6]	YANG Ju, SU Lijiao, LI Canhua, LU Jiajia, YANG Junli, GU Jie, YANG Li, YANG Lijuan. Host-guest Complexation Behavior of Nardosinone and Water-soluble Phosphate Salt Pillar［6］arene [J]. Chem. J. Chinese Universities, 2021, 42(10): 3099.
[7]	QI Guodong, YE Xiaodong, XU Jun, DENG Feng. Progress in NMR Studies of Carbohydrates Conversion on Zeolites [J]. Chem. J. Chinese Universities, 2021, 42(1): 148.
[8]	ZHANG Aiqin, WANG Man, SHEN Gangyi, JIN Jun. Interactions Between Polybrominated Diphenyl Ethers and Human Serum Albumin Using SPR and Molecular Docking [J]. Chem. J. Chinese Universities, 2020, 41(9): 2054.
[9]	ZHAO Xingling, QI Guodong, WANG Qiang, CHU Yueying, GAO Wei, LI Shenhui, XU Jun, DENG Feng. Structure， Nature and Activity of Ga Species for Propane Aromatization in Ga/ZSM-5 Revealed by Solid-state NMR Spectroscopy [J]. Chem. J. Chinese Universities, 2020, 41(12): 2681.
[10]	WANG Lianping,LI Qingjie,LIU Xiaoyan,REN Yueying,YANG Xiuwei. Screening of Cholinesterase Inhibitors in Fructus Evodiae Alkaloids Based on UFLC-MS/molecular Simulation ^† [J]. Chem. J. Chinese Universities, 2020, 41(1): 111.
[11]	WANG Xiaoxia, MA Litong, NIE Zhihua, WANG Zhengde, CUI Jinlong, ZHAO Wenyuan, SAI Huazheng. Interaction Between Fulvic Acid and Pepsin Investigated by Multispectral and Molecular Docking Simulation ^† [J]. Chem. J. Chinese Universities, 2019, 40(9): 1840.
[12]	FANG Liang,DING Xiaoli,SONG Yun,LIU Dongming,LI Yongtao,ZHANG Qingan. Effect of Morphological Tuning on Electrochemical Performance of Perovskite LaCoO₃ Anodes^† [J]. Chem. J. Chinese Universities, 2019, 40(7): 1456.
[13]	LIU Zhongcheng, LIU Shifang, ZHANG Su, YANG Yanlei, LI Fei, ZHANG Nan, YUAN Xin, ZHANG Yanfen. Structure Prediction and Screening of Oligonucleotide Aptamers Target Cε3-Cε4 Protein^† [J]. Chem. J. Chinese Universities, 2019, 40(1): 83.
[14]	XIN Meiling, CHU Zhenhua, LI Yu. Molecular Modification of Polychlorinated Biphenyl Dihydroxy Derivatives Through Molecular Docking Associated with CoMSIA/HQSAR Models^† [J]. Chem. J. Chinese Universities, 2018, 39(2): 299.
[15]	WANG Yan, CHEN Ping, WANG Yunfei, LIU Guiying, YANG Xi, SU Ying, LI Junyang, LIU Weiwei, LIN Lie. Spectral Characterization of the Interaction Between Methamphetamine and Serum Albumin^† [J]. Chem. J. Chinese Universities, 2018, 39(11): 2507.

Studies of Interaction Between GABA and Mutant GABAaR

PDF (PC)

Knowledge

Cited

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments