Conformational ensembles of non-peptide ω-conotoxin mimetics and Ca⁺² ion binding to human voltage-gated N-type calcium channel Ca_v2.2.

ABSTRACT: Chronic neuropathic pain is the most complex and challenging clinical problem of a population that sets a major physical and economic burden at the global level. Ca²⁺-permeable channels functionally orchestrate the processing of pain signals. Among them, N-type voltage-gated calcium channels (VGCC) hold prominent contribution in the pain signal transduction and serve as prime targets for synaptic transmission block and attenuation of neuropathic pain. Here, we present detailed in silico analysis to comprehend the underlying conformational changes upon Ca²⁺ ion passage through Ca_v2.2 to differentially correlate subtle transitions induced via binding of a conopeptide-mimetic alkylphenyl ether-based analogue MVIIA. Interestingly, pronounced conformation

SUBMITTER: Sameera 

PROVIDER: S-EPMC7498737 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature