Computational methods of studying the binding of toxins from venomous animals to biological ion channels: theory and applications
D Gordon, R Chen, SH Chung - Physiological Reviews, 2013 - journals.physiology.org
The discovery of new drugs that selectively block or modulate ion channels has great
potential to provide new treatments for a host of conditions. One promising avenue revolves …
potential to provide new treatments for a host of conditions. One promising avenue revolves …
Computational approaches for designing potent and selective analogs of peptide toxins as novel therapeutics
Peptide toxins provide valuable therapeutic leads for many diseases. As they bind to their
targets with high affinity, potency is usually ensured. However, toxins also bind to off-target …
targets with high affinity, potency is usually ensured. However, toxins also bind to off-target …
Olfactory bulb‐targeted quantum dot (QD) bioconjugate and Kv1. 3 blocking peptide improve metabolic health in obese male mice
The olfactory system is a driver of feeding behavior, whereby olfactory acuity is modulated
by the metabolic state of the individual. The excitability of the major output neurons of the …
by the metabolic state of the individual. The excitability of the major output neurons of the …
Structure, Function, and Chemical Synthesis of Vaejovis mexicanus Peptide 24: A Novel Potent Blocker of Kv1.3 Potassium Channels of Human T Lymphocytes
GB Gurrola, RA Hernández-López… - Biochemistry, 2012 - ACS Publications
Animal venoms are rich sources of ligands for studying ion channels and other
pharmacological targets. Proteomic analyses of the soluble venom from the Mexican …
pharmacological targets. Proteomic analyses of the soluble venom from the Mexican …
Affinity and selectivity of ShK toxin for the Kv1 potassium channels from free energy simulations
The voltage-gated potassium channel Kv1. 3 is an attractive target for treatment of
autoimmune diseases. ShK toxin from sea anemone is one of the most potent blockers of …
autoimmune diseases. ShK toxin from sea anemone is one of the most potent blockers of …
Electrophysiological Characterization of Ts6 and Ts7, K+ Channel Toxins Isolated through an Improved Tityus serrulatus Venom Purification Procedure
FA Cerni, MB Pucca, S Peigneur, CM Cremonez… - Toxins, 2014 - mdpi.com
In Brazil, Tityus serrulatus (Ts) is the species responsible for most of the scorpion related
accidents. Among the Ts toxins, the neurotoxins with action on potassium channels (α-KTx) …
accidents. Among the Ts toxins, the neurotoxins with action on potassium channels (α-KTx) …
Free energy simulations of binding of HsTx1 toxin to Kv1 potassium channels: the basis of Kv1. 3/Kv1. 1 selectivity
The voltage-gated potassium channel Kv1. 3 is an established target for treatment of
autoimmune diseases. Hence, there are intense efforts to develop immunosuppressant …
autoimmune diseases. Hence, there are intense efforts to develop immunosuppressant …
Computational studies of venom peptides targeting potassium channels
R Chen, SH Chung - Toxins, 2015 - mdpi.com
Small peptides isolated from the venom of animals are potential scaffolds for ion channel
drug discovery. This review article mainly focuses on the computational studies that have …
drug discovery. This review article mainly focuses on the computational studies that have …
Computational studies of marine toxins targeting ion channels
Toxins from marine animals offer novel drug leads for treatment of diseases involving ion
channels. Computational methods could be very helpful in this endeavour in several ways …
channels. Computational methods could be very helpful in this endeavour in several ways …
Trans-toxin ion-sensitivity of charybdotoxin-blocked potassium-channels reveals unbinding transitional states
In silico and in vitro studies have made progress in understanding protein–protein complex
formation; however, the molecular mechanisms for their dissociation are unclear. Protein …
formation; however, the molecular mechanisms for their dissociation are unclear. Protein …