Ligand Dissociation: Planar or Pyramidal Intermediates?

2009 ◽  
Vol 42 (10) ◽  
pp. 1501-1510 ◽  
Author(s):  
Henri Brunner ◽  
Takashi Tsuno
Keyword(s):  
Ligand Dissociation

scholarly journals Molecular Basis of Ligand Dissociation in β-Adrenergic Receptors

PLoS ONE ◽  
2011 ◽  
Vol 6 (9) ◽  
pp. e23815 ◽  
Author(s):  
Angel González ◽  
Tomas Perez-Acle ◽  
Leonardo Pardo ◽  
Xavier Deupi
Keyword(s):  
Adrenergic Receptors ◽  
Molecular Basis ◽  
Ligand Dissociation ◽  
Β Adrenergic Receptors

scholarly journals Quantification of fast molecular adhesion by fluorescence footprinting

2021 ◽  
Author(s):  
Adam B. Yasunaga ◽  
Isaac T.S. Li
Keyword(s):  
Shear Stress ◽  
Dynamic Range ◽  
Force Distribution ◽  
Equilibrium Conditions ◽  
Ligand Dissociation ◽  
Molecular Adhesion ◽  
Molecular Force ◽  
Adhesion Complex ◽  
Non Equilibrium

AbstractRolling adhesion is a unique process in which the adhesion events are short-lived and operate under highly non-equilibrium conditions. These characteristics pose a challenge in molecular force quantification, where in situ measurement of such forces cannot be achieved with most molecular force sensors that probe near equilibrium. In this report, we demonstrated a quantitative adhesion footprint assay combining DNA-based non-equilibrium force probes and modelling to measure the molecular force involved in fast rolling adhesion. We were able to directly profile the ensemble molecular force distribution during rolling adhesion with a dynamic range between 0 – 18 pN. Our results showed that the shear stress driving bead rolling motility directly controls the molecular tension on the probe-conjugated adhesion complex. Furthermore, the shear stress can steer the dissociation bias of components within the molecular force probe complex, favouring either DNA probe dissociation or receptor-ligand dissociation.

scholarly journals Protein-ligand dissociation rate constant from all-atom simulation

2021 ◽  
Author(s):  
Ekaterina Maximova ◽  
Eugene Postnikov ◽  
Anastasia Lavrova ◽  
Vladimir Farafonov ◽  
Dmitry Nerukh
Keyword(s):  
Molecular Dynamics ◽  
Rate Constant ◽  
Md Simulations ◽  
Dissociation Rate ◽  
Dissociation Rate Constant ◽  
Zero Force ◽  
Ligand Dissociation ◽  
Random Acceleration

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.

scholarly journals Force History Dependence of Receptor-Ligand Dissociation

2005 ◽  
Vol 88 (2) ◽  
pp. 1458-1466 ◽  
Author(s):  
Bryan T. Marshall ◽  
Krishna K. Sarangapani ◽  
Jizhong Lou ◽  
Rodger P. McEver ◽  
Cheng Zhu
Keyword(s):  
History Dependence ◽  
Receptor Ligand ◽  
Ligand Dissociation

Photoinduced ligand dissociation follows reverse energy gap law: nitrile photodissociation from low energy 3MLCT excited states

2020 ◽  
Vol 56 (29) ◽  
pp. 4070-4073
Author(s):  
Lauren M. Loftus ◽  
Jeffrey J. Rack ◽  
Claudia Turro
Keyword(s):  
Excited State ◽  
Excited States ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Energy Gap ◽  
Low Energy ◽  
Transient Absorption Spectroscopy ◽  
Ligand Dissociation ◽  
Energy Gap Law

Transient absorption spectroscopy is used to show that stabilization of the 3MLCT excited state in a series of Ru(ii) complexes leads to decreased population of the 3LF state, but does not reduce the efficiency of photoinduced nitrile dissociation.

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