Home

Citation: Lian Hong-Shou, Ding Xiao-Qin, Chen Chang-Ying, Li Yu-Lin, Chen Ji-Sheng, Luo Yu, Xu Xiao-Jie. Studies on Some Marine Toxins (TTX、STX) Binding to Sodium Channel[J]. Acta Physico-Chimica Sinica, ;1994, 10(02): 141-144. doi: 10.3866/PKU.WHXB19940210 shu

Studies on Some Marine Toxins (TTX、STX) Binding to Sodium Channel

1.
Institute of Pharmaceutical Chemistry, PLA, Beijing 102205; Institute of Physical Chemistry, Peking University, Beijing 100871

Received Date: 1 July 1992
Available Online: 15 February 1994

Tetridotoxin(TTX)、Sexitoxin(STX) are important tool-drugs in clarifing the sodium channel structure. The parameters of electronic structure、 molecular geometry and molecular coallguration of TTX、STX. and its derivatives were studied.
It is shown that active guanidinium group and hendketal ring in TTX and two guanidininm grouop in STX form two high polar planar orthoriangle coallguration with a positive net charge carbon centers. Three apices nitrogen or oxygen atoms of triangle posses strong negative charge respectively. Molecular electrostatic potential of some active site of TTX. STX and its derivatives were calculated and electrostatic potential contour maps were obtained. The fitting of TTX and STX molecular structres made by technology of molecular graphics shows very similar electronic and stereo characteristics both in TTX and STX. The acting mechanism and relationship between the molecular configurations and the toxicities of TTX, STX. and its derivatives were discuseed.
- Marine toxin,
- Sodium channel,
- Quantum chemistry,
- Molecular graphics
1. [1]
  Jia Zhou . Constructing Potential Energy Surface of Water Molecule by Quantum Chemistry and Machine Learning: Introduction to a Comprehensive Computational Chemistry Experiment. University Chemistry, 2024, 39(3): 351-358. doi: 10.3866/PKU.DXHX202309060
2. [2]
  Dongju Zhang , Rongxiu Zhu . Construction of Ideological and Political Education in Quantum Chemistry Course: Several Teaching Cases to Reveal the Universal Connection of Things. University Chemistry, 2024, 39(7): 272-277. doi: 10.3866/PKU.DXHX202311032
3. [3]
  Guoxian Zhu , Jing Chen , Rongkai Pan . Enhancing the Teaching Quality of Atomic Structure: Insights and Strategies. University Chemistry, 2024, 39(3): 376-383. doi: 10.3866/PKU.DXHX202305027
4. [4]
  Yanan Jiang , Yuchen Ma . Brief Discussion on the Electronic Exchange Interaction in Quantum Chemistry Computations. University Chemistry, 2025, 40(3): 10-15. doi: 10.12461/PKU.DXHX202402058
5. [5]
  Yaqin Zheng , Lian Zhuo , Meng Li , Chunying Rong . Enhancing Understanding of the Electronic Effect of Substituents on Benzene Rings Using Quantum Chemistry Calculations. University Chemistry, 2025, 40(3): 193-198. doi: 10.12461/PKU.DXHX202406119
6. [6]
  Jiabo Huang , Quanxin Li , Zhongyan Cao , Li Dang , Shaofei Ni . Elucidating the Mechanism of Beckmann Rearrangement Reaction Using Quantum Chemical Calculations. University Chemistry, 2025, 40(3): 153-159. doi: 10.12461/PKU.DXHX202405172
7. [7]
  Huiying Xu , Minghui Liang , Zhi Zhou , Hui Gao , Wei Yi . Application of Quantum Chemistry Computation and Visual Analysis in Teaching of Weak Interactions. University Chemistry, 2025, 40(3): 199-205. doi: 10.12461/PKU.DXHX202407011
8. [8]
  Xueli Mu , Lingli Han , Tao Liu . Quantum Chemical Calculation Study on the E2 Elimination Reaction of Halohydrocarbon: Designing a Computational Chemistry Experiment. University Chemistry, 2025, 40(3): 68-75. doi: 10.12461/PKU.DXHX202404057
9. [9]
  Wenkai Chen , Yunjia Shen , Xiangmeng Kong , Yanli Zeng . Quantum Chemistry Calculation of Key Physical Quantity in Circularly Polarized Luminescence: Introducing an Exploratory Computational Chemistry Experiment. University Chemistry, 2025, 40(3): 83-91. doi: 10.12461/PKU.DXHX202405018
10. [10]
  Qi Liang , Xinxin Wang , Xinmiao Zhao , Mohan Yu , Yue Sun . 电子圆二色谱结合量子化学计算的氨基酸手性解析——介绍一个计算化学综合实验. University Chemistry, 2026, 41(5): 380-390. doi: 10.12461/PKU.DXHX202511096
11. [11]
  Wenhui Li , Yakun Tang , Yusheng Zhou , Yue Zhang , Wenhai Zhang , Qingtao Ma , Lang Liu , Sen Dong , Yuliang Cao . Enhanced sodium storage performance of asphalt-derived hard carbon through intramolecular oxidation for high-performance sodium-ion batteries. Acta Physico-Chimica Sinica, 2025, 41(10): 100119-0. doi: 10.1016/j.actphy.2025.100119
12. [12]
  Zhuo Wang , Xue Bai , Kexin Zhang , Hongzhi Wang , Jiabao Dong , Yuan Gao , Bin Zhao . MOF-Templated Synthesis of Nitrogen-Doped Carbon for Enhanced Electrochemical Sodium Ion Storage and Removal. Acta Physico-Chimica Sinica, 2025, 41(3): 100026-0. doi: 10.3866/PKU.WHXB202405002
13. [13]
  Chaolin Mi , Yuying Qin , Xinli Huang , Yijie Luo , Zhiwei Zhang , Chengxiang Wang , Yuanchang Shi , Longwei Yin , Rutao Wang . Galvanic Replacement Synthesis of Graphene Coupled Amorphous Antimony Nanoparticles for High-Performance Sodium-Ion Capacitor. Acta Physico-Chimica Sinica, 2024, 40(5): 2306011-0. doi: 10.3866/PKU.WHXB202306011
14. [14]
  Changjia Hu , Sinuo Li , Wen Jiang , Ruiyang Wu , Wenhong Ruan , Rong Lai . 分子盾牌：解锁防晒的化学密码. University Chemistry, 2026, 41(5): 14-25. doi: 10.12461/PKU.DXHX202510001
15. [15]
  Yuyang Xu , Ruying Yang , Yanzhe Zhang , Yandong Liu , Keyi Li , Zehui Wei . Research Progress of Aflatoxins Removal by Modern Optical Methods. University Chemistry, 2024, 39(11): 174-181. doi: 10.12461/PKU.DXHX202402064
16. [16]
  Fengmei Wang , Xin Zhang , Hong Yan , Xiangyu Xu , Guirong Wang . Inverted 'Π' Graphic Memory Method for Thermodynamic Basic Equations and the Application in Teaching Practice. University Chemistry, 2025, 40(11): 369-375. doi: 10.12461/PKU.DXHX202412087
17. [17]
  Yuyao Wang , Zhitao Cao , Zeyu Du , Xinxin Cao , Shuquan Liang . Research Progress of Iron-based Polyanionic Cathode Materials for Sodium-Ion Batteries. Acta Physico-Chimica Sinica, 2025, 41(4): 100035-0. doi: 10.3866/PKU.WHXB202406014
18. [18]
  Wang Shuang , Fu Xiaoqi , Yao Shanshan . Synergistic optimization of ion migration and electron transfer in sodium-ion battery cathode materials. Acta Physico-Chimica Sinica, 2026, 42(5): 100206-. doi: 10.1016/j.actphy.2025.100206
19. [19]
  Cuicui Yang , Bo Shang , Xiaohua Chen , Weiquan Tian . Understanding the Wave-Particle Duality and Quantization of Confined Particles Starting from Classic Mechanics. University Chemistry, 2025, 40(3): 408-414. doi: 10.12461/PKU.DXHX202407066
20. [20]
  Weijie Yang , Mansheng Chen , Chen Xu , Fujian Xu . Hydroxyl-Rich Polycations: Innovative Materials Empowering Life and Health. University Chemistry, 2025, 40(9): 332-343. doi: 10.12461/PKU.DXHX202410072

Get Citation

PDF

XML

Metrics

PDF Downloads(2207)
Abstract views(3915)
HTML views(58)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return