Computational methods of studying the binding of toxins from venomous animals to biological ion channels: theory and applications.

ABSTRACT: 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 around modifying or mimicking certain naturally occurring ion channel modulator toxins. This strategy appears to offer the prospect of designing drugs that are both potent and specific. The use of computational modeling is crucial to this endeavor, as it has the potential to provide lower cost alternatives for exploring the effects of new compounds on ion channels. In addition, computational modeling can provide structural information and theoretical understanding that is not easily derivable from experimental results. In this review, we look at the theory and computational methods that are applicable to the study o

SUBMITTER: Gordon D 

PROVIDER: S-EPMC3768100 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature