Foldamers as dynamic receptors: Probing the mechanism of molecular association between helical oligomers and rodlike ligands

被引:0
|
作者
Tanatani, A
Hughes, TS
Moore, JS
机构
[1] Univ Illinois, Dept Chem, Roger Adams Lab, Urbana, IL 61801 USA
[2] Univ Illinois, Dept Mat Sci & Engn, Roger Adams Lab, Urbana, IL 61801 USA
关键词
D O I
10.1002/1521-3773(20020118)41:2<325::AID-ANIE325>3.0.CO;2-1
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A dynamic binding mechanism allows the association of dumbbell-shaped ligand 2 with helical folded oligo(m-phenyleneethynylene)s 1 (see schematic representation). Association constants are oligomer length specific, with a maximum value for the icosamer and docosamer. These oligomers have helical conformations that are highly shape-complementary to 1; shorter and longer oligomers exhibit association constants roughly an order of magnitude smaller.
引用
收藏
页码:325 / +
页数:5
相关论文
共 50 条
  • [31] Molecular dynamic simulations of interfacial interaction mechanism between the NASH gels and the polyethene fibre
    Guan, Xiwen
    Wu, Jia-Qi
    Hernandez, Alvaro Garcia
    Li, Bo
    Do, Hainam
    CONSTRUCTION AND BUILDING MATERIALS, 2022, 349
  • [32] Mechanism of interactions between tripeptide NCW on cellular membrane using molecular dynamic simulation
    Wu, Sijia
    Zhuang, Hong
    Yan, Haiyang
    Mao, Chen
    Wang, Bing
    Zhou, Guangdong
    Tian, Ge
    FRONTIERS IN NUTRITION, 2022, 9
  • [33] Interaction mechanism between resveratrol and ovalbumin based on fluorescence spectroscopy and molecular dynamic simulation
    Cheng, Weiwei
    Ma, Jinliang
    Wang, Sijia
    Lou, Ruixin
    Wu, Suyue
    He, Jialiang
    Kang, Huaibin
    Liu, Lili
    Xiao, Feng
    LWT-FOOD SCIENCE AND TECHNOLOGY, 2021, 146
  • [34] Gestational acrylamide exposure and biomarkers of fetal growth: Probing the mechanism underlying the association between acrylamide and reduced fetal growth
    Hogervorst, Janneke G. F.
    Saenen, Nelly D.
    Nawrot, Tim S.
    ENVIRONMENT INTERNATIONAL, 2021, 155
  • [35] Study of Molecular Mechanism of the Interaction Between MEK1/2 and Trametinib with Docking and Molecular Dynamic Simulation
    Hashemzadeh, Sh.
    Ramezani, F.
    Rafii-Tabar, H.
    INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2019, 11 (01) : 115 - 124
  • [36] Study of Molecular Mechanism of the Interaction Between MEK1/2 and Trametinib with Docking and Molecular Dynamic Simulation
    Sh. Hashemzadeh
    F. Ramezani
    H. Rafii-Tabar
    Interdisciplinary Sciences: Computational Life Sciences, 2019, 11 : 115 - 124
  • [37] The association between the hypopharyngeal glands and the molecular mechanism which honey bees secrete royal jelly
    Hassanyar, Aqai Kalan
    Huang, Jingnan
    Nie, Hongyi
    Li, Zhiguo
    Hussain, Mubasher
    Rizwan, Muhammad
    Su, Songkun
    JOURNAL OF APICULTURAL RESEARCH, 2025, 64 (01) : 281 - 296
  • [38] Insights into interaction mechanism between fibrinogen hydrolyzed peptides and myosin during gelation by molecular docking and molecular dynamic simulation
    Zhang, Yuemei
    Bai, Genpeng
    Wang, Jinpeng
    Teng, Wendi
    Ni, Laixue
    Wang, Wei
    Cao, Jinxuan
    Wang, Ying
    FOOD CHEMISTRY, 2025, 472
  • [39] Molecular dynamic simulations reveal the mechanism of binding between xanthine inhibitors and DPP-4
    Yongliang Gu
    Wei Wang
    Xiaolei Zhu
    Keke Dong
    Journal of Molecular Modeling, 2014, 20
  • [40] Investigating the interaction mechanism between gliadin and lysozyme through multispectroscopic analysis and molecular dynamic simulations
    Chen, Jin
    Zhang, Zhuangwei
    Li, Renjie
    Li, Huihui
    Tang, Hongjin
    FOOD RESEARCH INTERNATIONAL, 2024, 180