[HTML][HTML] Brownian dynamics simulations of the recognition of the scorpion toxin maurotoxin with the voltage-gated potassium ion channels

W Fu, M Cui, JM Briggs, X Huang, B Xiong, Y Zhang… - Biophysical journal, 2002 - cell.com
The recognition of the scorpion toxin maurotoxin (MTX) by the voltage-gated potassium
(Kv1) channels, Kv1. 1, Kv1. 2, and Kv1. 3, has been studied by means of Brownian …

[HTML][HTML] Binding modes of two scorpion toxins to the voltage-gated potassium channel kv1. 3 revealed from molecular dynamics

R Chen, SH Chung - Toxins, 2014 - mdpi.com
Molecular dynamics (MD) simulations are used to examine the binding modes of two
scorpion toxins, margatoxin (MgTx) and hongotoxin (HgTx), to the voltage gated K+ channel …

[HTML][HTML] Structural basis of the selective block of Kv1. 2 by maurotoxin from computer simulations

R Chen, SH Chung - 2012 - journals.plos.org
The 34-residue polypeptide maurotoxin (MTx) isolated from scorpion venoms selectively
inhibits the current of the voltage-gated potassium channel Kv1. 2 by occluding the ion …

Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels

M Cui, J Shen, JM Briggs, W Fu, J Wu, Y Zhang… - Journal of molecular …, 2002 - Elsevier
The recognition of the scorpion toxin P05 and the small-conductance, calcium-activated
potassium (SK) channels, rsk1, rsk2, and rsk3, has been studied by means of the Brownian …

[HTML][HTML] Computational simulations of interactions of scorpion toxins with the voltage-gated potassium ion channel

K Yu, W Fu, H Liu, X Luo, KX Chen, J Ding, J Shen… - Biophysical journal, 2004 - cell.com
Based on a homology model of the Kv1. 3 potassium channel, the recognitions of the six
scorpion toxins, viz. agitoxin2, charybdotoxin, kaliotoxin, margatoxin, noxiustoxin, and …

[HTML][HTML] Differential molecular information of maurotoxin peptide recognizing IKCa and Kv1.2 channels explored by computational simulation

H Yi, S Qiu, Y Wu, W Li, B Wang - BMC structural biology, 2011 - Springer
Background Scorpion toxins are invaluable tools for ion channel research and are potential
drugs for human channelopathies. However, it is still an open task to determine the …

Unusual binding mode of scorpion toxin BmKTX onto potassium channels relies on its distribution of acidic residues

Z Chen, Y Hu, J Hu, W Yang, JM Sabatier… - Biochemical and …, 2014 - Elsevier
Besides classical scorpion toxin–potassium channel binding modes, novel modes remain
unknown. Here, we report a novel binding mode of native toxin BmKTX towards Kv1. 3 …

[HTML][HTML] Brownian dynamics simulations of interaction between scorpion toxin Lq2 and potassium ion channel

M Cui, J Shen, JM Briggs, X Luo, X Tan, H Jiang… - Biophysical …, 2001 - cell.com
The association of the scorpion toxin Lq2 and a potassium ion (K+) channel has been
studied using the Brownian dynamics (BD) simulation method. All of the 22 available …

Charybdotoxin Unbinding from the mKv1.3 Potassium Channel: A Combined Computational and Experimental Study

M Khabiri, A Nikouee, L Cwiklik… - The Journal of …, 2011 - ACS Publications
Charybdotoxin, belonging to the group of so-called scorpion toxins, is a short peptide able to
block many voltage-gated potassium channels, such as m Kv1. 3, with high affinity. We use a …

[HTML][HTML] Molecular dynamics simulations of scorpion toxin recognition by the Ca2+-activated potassium channel KCa3. 1

R Chen, SH Chung - Biophysical journal, 2013 - cell.com
The Ca 2+-activated channel of intermediate-conductance (K Ca 3.1) is a target for
antisickling and immunosuppressant agents. Many small peptides isolated from animal …