Literature DB >> 17307283

Continuum simulations of acetylcholine diffusion with reaction-determined boundaries in neuromuscular junction models.

Yuhui Cheng1, Jason K Suen, Zoran Radić, Stephen D Bond, Michael J Holst, J Andrew McCammon.   

Abstract

The reaction-diffusion system of the neuromuscular junction has been modeled in 3D using the finite element package FEtk. The numerical solution of the dynamics of acetylcholine with the detailed reaction processes of acetylcholinesterases and nicotinic acetylcholine receptors has been discussed with the reaction-determined boundary conditions. The simulation results describe the detailed acetylcholine hydrolysis process, and reveal the time-dependent interconversion of the closed and open states of the acetylcholine receptors as well as the percentages of unliganded/monoliganded/diliganded states during the neuro-transmission. The finite element method has demonstrated its flexibility and robustness in modeling large biological systems.

Entities:  

Mesh：

Substances：

Year:  2007        PMID： 17307283      PMCID： PMC2040065          DOI： 10.1016/j.bpc.2007.01.003

Source DB:  PubMed          Journal:  Biophys Chem        ISSN： 0301-4622            Impact factor:   2.352


  41 in total

1.  A glia-derived acetylcholine-binding protein that modulates synaptic transmission.

Authors:  A B Smit; N I Syed; D Schaap; J van Minnen; J Klumperman; K S Kits; H Lodder; R C van der Schors; R van Elk; B Sorgedrager; K Brejc; T K Sixma; W P Geraerts
Journal:  Nature       Date:  2001-05-17       Impact factor: 49.962

2.  Finite element simulations of acetylcholine diffusion in neuromuscular junctions.

Authors:  Kaihsu Tai; Stephen D Bond; Hugh R MacMillan; Nathan Andrew Baker; Michael Jay Holst; J Andrew McCammon
Journal:  Biophys J       Date:  2003-04       Impact factor: 4.033

3.  A two-dimensional compartment model for the reaction-diffusion system of acetylcholine in the synaptic cleft at the neuromuscular junction.

Authors:  T Naka; K Shiba; N Sakamoto
Journal:  Biosystems       Date:  1997       Impact factor: 1.973

4.  Single-domain/bound calcium hypothesis of transmitter release and facilitation.

Authors:  R Bertram; A Sherman; E F Stanley
Journal:  J Neurophysiol       Date:  1996-05       Impact factor: 2.714

5.  Synaptic structural complexity as a factor enhancing probability of calcium-mediated transmitter release.

Authors:  R L Cooper; J L Winslow; C K Govind; H L Atwood
Journal:  J Neurophysiol       Date:  1996-06       Impact factor: 2.714

6.  Analysis of synaptic transmission in the neuromuscular junction using a continuum finite element model.

Authors:  J L Smart; J A McCammon
Journal:  Biophys J       Date:  1998-10       Impact factor: 4.033

7.  Effect of Ca2+ diffusion on the time course of neurotransmitter release.

Authors:  H Parnas; G Hovav; I Parnas
Journal:  Biophys J       Date:  1989-05       Impact factor: 4.033

8.  Presynaptic calcium diffusion and the time courses of transmitter release and synaptic facilitation at the squid giant synapse.

Authors:  R S Zucker; N Stockbridge
Journal:  J Neurosci       Date:  1983-06       Impact factor: 6.167

9.  Diffusion and binding constants for acetylcholine derived from the falling phase of miniature endplate currents.

Authors:  B R Land; W V Harris; E E Salpeter; M M Salpeter
Journal:  Proc Natl Acad Sci U S A       Date:  1984-03       Impact factor: 11.205

10.  Evidence for ectopic neurotransmission at a neuronal synapse.

Authors:  Jay S Coggan; Thomas M Bartol; Eduardo Esquenazi; Joel R Stiles; Stephan Lamont; Maryann E Martone; Darwin K Berg; Mark H Ellisman; Terrence J Sejnowski
Journal:  Science       Date:  2005-07-15       Impact factor: 47.728
View more
  16 in total

1.  Differential geometry based solvation model II: Lagrangian formulation.

Authors:  Zhan Chen; Nathan A Baker; G W Wei
Journal:  J Math Biol       Date:  2011-01-30       Impact factor: 2.259

2.  A new 3D mass diffusion-reaction model in the neuromuscular junction.

Authors:  Abdul Khaliq; Frank Jenkins; Mark DeCoster; Weizhong Dai
Journal:  J Comput Neurosci       Date:  2010-11-10       Impact factor: 1.621

3.  Characterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling.

Authors:  Alexander V Nemukhin; Sofia V Lushchekina; Anastasia V Bochenkova; Anna A Golubeva; Sergei D Varfolomeev
Journal:  J Mol Model       Date:  2008-03-15       Impact factor: 1.810

4.  Improvements to the APBS biomolecular solvation software suite.

Authors:  Elizabeth Jurrus; Dave Engel; Keith Star; Kyle Monson; Juan Brandi; Lisa E Felberg; David H Brookes; Leighton Wilson; Jiahui Chen; Karina Liles; Minju Chun; Peter Li; David W Gohara; Todd Dolinsky; Robert Konecny; David R Koes; Jens Erik Nielsen; Teresa Head-Gordon; Weihua Geng; Robert Krasny; Guo-Wei Wei; Michael J Holst; J Andrew McCammon; Nathan A Baker
Journal:  Protein Sci       Date:  2017-10-24       Impact factor: 6.725

5.  MIBPB: a software package for electrostatic analysis.

Authors:  Duan Chen; Zhan Chen; Changjun Chen; Weihua Geng; Guo-Wei Wei
Journal:  J Comput Chem       Date:  2010-09-15       Impact factor: 3.376

6.  Finite element analysis of the time-dependent Smoluchowski equation for acetylcholinesterase reaction rate calculations.

Authors:  Yuhui Cheng; Jason K Suen; Deqiang Zhang; Stephen D Bond; Yongjie Zhang; Yuhua Song; Nathan A Baker; Chandrajit L Bajaj; Michael J Holst; J Andrew McCammon
Journal:  Biophys J       Date:  2007-02-16       Impact factor: 4.033

7.  Differential geometry based solvation model I: Eulerian formulation.

Authors:  Zhan Chen; Nathan A Baker; G W Wei
Journal:  J Comput Phys       Date:  2010-11-01       Impact factor: 3.553

8.  Finite element analysis of drug electrostatic diffusion: inhibition rate studies in N1 neuraminidase.

Authors:  Yuhui Cheng; Michael J Holst; J A McCammon
Journal:  Pac Symp Biocomput       Date:  2009

9.  Multi-Scale Continuum Modeling of Biological Processes: From Molecular Electro-Diffusion to Sub-Cellular Signaling Transduction.

Authors:  Y Cheng; P Kekenes-Huskey; Je Hake; Mj Holst; Ja McCammon; Ap Michailova
Journal:  Comput Sci Discov       Date:  2012-03-20

10.  Diffusional channeling in the sulfate-activating complex: combined continuum modeling and coarse-grained brownian dynamics studies.

Authors:  Yuhui Cheng; Chia-En A Chang; Zeyun Yu; Yongjie Zhang; Meihao Sun; Thomas S Leyh; Michael J Holst; J Andrew McCammon
Journal:  Biophys J       Date:  2008-08-08       Impact factor: 4.033
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.