scholarly journals Voltage Affects the Dissociation Rate Constant of the m2 Muscarinic Receptor

PLoS ONE ◽  
2013 ◽  
Vol 8 (9) ◽  
pp. e74354 ◽  
Author(s):  
Yair Ben Chaim ◽  
Shimrit Bochnik ◽  
Itzchak Parnas ◽  
Hanna Parnas
2014 ◽  
Vol 106 (2) ◽  
pp. 103a
Author(s):  
Yair Ben Chaim ◽  
Shimrit Bochnik ◽  
Itzchak Parnas ◽  
Hanna Parnas

2021 ◽  
Author(s):  
Ekaterina Maximova ◽  
Eugene Postnikov ◽  
Anastasia Lavrova ◽  
Vladimir Farafonov ◽  
Dmitry Nerukh

Abstract Dissociation of a ligand isoniazid from a protein catalase was investigated using all-atom Molecular Dynamics (MD) simulations. Random Acceleration MD (τ-RAMD) was used where a random artificial force applied to the ligand facilitates its dissociation. We have suggested an approach to extrapolate such obtained dissociation times to the zero-force limit that was never attempted before, thus allowing direct comparison with experimentally measured values. We have found that our calculated dissociation time was equal to 36.1 seconds with statistically significant values distributed in the interval 0.2-72.0 s, that quantitatively matches the experimental value of 50 ± 8 seconds despite the extrapolation over nine orders of magnitude in time.


2011 ◽  
Vol 3 (11) ◽  
pp. 875-881 ◽  
Author(s):  
Garen G. Holman ◽  
Maha Zewail-Foote ◽  
Amy Rhoden Smith ◽  
Kenneth A. Johnson ◽  
Brent L. Iverson

2015 ◽  
Vol 79 (6) ◽  
pp. 1307-1315 ◽  
Author(s):  
Nick Sherriff ◽  
Ragiab Issa ◽  
Katherine Morris ◽  
Francis Livens ◽  
Sarah Heath ◽  
...  

AbstractTernary systems of 152Eu(III), bulk bentonite and ethylenediaminetetraacetic acid (EDTA) ([Eu] = 7.9 × 10–10 M; pH = 6.0–7.0) have been studied. Without EDTA, there was slow uptake in a two-stage process, with initial rapid sorption of Eu(III) (96%), followed by slower uptake of a much smaller fraction (3.0% over a period of one month). The reversibility of Eu(III) binding was tested by allowing Eu(III) to sorb to bentonite for 1–322 days. EDTA was added to the pre-equilibrated Eu bentonite systems at 0.01 M, a concentration that was sufficient to suppress sorption in a system where EDTA was present prior to the contact of Eu(III) with bentonite. A fraction of the Eu was released instantaneously (30–50%), but a significant amount remained bound. With time, the amount of Eu(III) retained by the bentonite reduced, with a slow fraction dissociation rate constant of approximately 4.3 × 10–8 s–1 (values in the range 2.2 × 10–8 – 1.0 × 10–7 s–1) for pre-equilibration times ≥7 days. Eventually, the amount of Eu(III) remaining bound to the bentonite was within error of that when EDTA was present prior to contact (4.5% ± 0.6), although in systems with pre-equilibration times >100 days, full release took up to 500 days. Europium interactions with colloidal bentonite were also studied, and the dissociation rate constant measured by a resin competition method. For the colloids, more Eu was found in the slowly dissociating fraction (60–70%), but the first-order dissociation rate constant was faster, with an average rate constant of 8.8 × 10–7 s–1 and a range of 7.7 × 10–7 –9.5 × 10–7 s–1. For both bulk and colloidal bentonite, although slow dissociation was observed for Eu(III), there was no convincing evidence for 'irreversible' binding.


Author(s):  
Ekaterina Maximova ◽  
Eugene B. Postnikov ◽  
Anastasia I. Lavrova ◽  
Vladimir Farafonov ◽  
Dmitry Nerukh

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