CIPDB: A biological structure databank for studying cation and π interactions

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成果类型：

期刊论文

作者：

Yang, Jing-Fang;Wang, Fan;Wang, Meng-Yao;Wang, Di;Zhou, Zhong-Shi;...

通讯作者：

Ge-Fei Hao<&wdkj&>Qing X. Li<&wdkj&>Guang-Fu Yang

作者机构：

[Yang, Jing-Fang; Yang, Guang-Fu; Wang, Meng-Yao; Wang, Di; Wang, Fan; Hao, Ge-Fei] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.

[Yang, Jing-Fang; Yang, Guang-Fu; Wang, Meng-Yao; Wang, Di; Wang, Fan; Hao, Ge-Fei] Cent China Normal Univ, Int Joint Res Ctr Intelligent Biosensor Technol &, Wuhan 430079, Peoples R China.

[Yang, Jing-Fang; Zhou, Zhong-Shi] Chinese Acad Agr Sci, Inst Plant Protect, State Key Lab Biol Plant Dis & Insect Pests, Beijing 100193, Peoples R China.

[Hao, Ge-Fei] Guizhou Univ, Res & Dev Ctr Fine Chem, State Key Lab Breeding Base Green Pesticide & Agr, Key Lab Green Pesticide & Agr Bioengn,Minist Educ, Guiyang 550025, Peoples R China.

[Li, Qing X.] Univ Hawaii Manoa, Dept Mol Biosci & Bioengn, Honolulu, HI 96822 USA.

通讯机构：

[Ge-Fei Hao; Guang-Fu Yang] K

[Qing X. Li] D

Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China<&wdkj&>International Joint Research Center for Intelligent Biosensor Technology and Health, Central China Normal University, Wuhan 430079, PR China<&wdkj&>State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Research and Development Center for Fine Chemicals, Guizhou University, Guiyang 550025, PR China<&wdkj&>Department of Molecular Biosciences and Bioengineering, University of Hawaii at Manoa, Honolulu, HI 96822, USA<&wdkj&>Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China<&wdkj&>International Joint Research Center for Intelligent Biosensor Technology and Health, Central China Normal University, Wuhan 430079, PR China<&wdkj&>Collaborative Innovation Center of Chemical Science and Engineering, Tianjin 300072, PR China

语种：

英文

关键词：

biological;cation-π;dataset;drug;function;noncovalent interaction;pesticide;structure

期刊：

Drug Discovery Today

ISSN：

1359-6446

年：

2023

卷：

期：

页码：

103546

DOI：

10.1016/j.drudis.2023.103546

基金类别：

This study was supported by the National Key Research and Development Program of China (2021YFD1700102), the National Natural Science Foundation of China (32125033, 31960548, 21907036, and 32001932), Program of Introducing Talents of Discipline to Universities of China (111 Program, D20023), China Postdoctoral Science Foundation, Special Program (2021T140249), China Postdoctoral Science Foundation (2020M672389), and the USDA Hatch project HAW5032-R.

机构署名：

本校为第一机构

院系归属：

化学学院

摘要：

As major forces for modulating protein folding and molecular recognition, cation and π interactions are extensively identified in protein structures. They are even more competitive than hydrogen bonds in molecular recognition, thus, are vital in numerous biological processes. In this review, we introduce the methods for the identification and quantification of cation and π interactions, provide insights into the characteristics of cation and π interactions in the natural state, and reveal their biological function together with our developed...

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CIPDB: A biological structure databank for studying cation and π interactions

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