Homology modeling and molecular docking simulation of martentoxin as a specific inhibitor of the BK channel.

ABSTRACT:

Background

Large conductance calcium-activated potassium channel (BK channel) is gated by both voltage and calcium ions and is widely distributed in excitable and nonexcitable cells. BK channel plays an important role in epilepsy and other diseases, but BK channel subtype-specific drugs are still extremely rare. Martentoxin was previously isolated from the venom of members of Scorpionidae and shown to be composed of 37 amino acids. Research has shown that the pharmacological selectivity of martentoxin to the BK channel is higher than that to other potassium channels. Therefore, it is of great significance to study the mechanism of interaction between martentoxin and BK channels.

Methods

The three-dimensional structure of BK channel pore region was constructed by homologous m

SUBMITTER: Yang C 

PROVIDER: S-EPMC8848368 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature