In silico Analysis of Structure Activity Relationship of Ï?-Conotoxins with Cav 2.2 Channel Receptor for Treatment of Neuropathic Pain.

Background: The N-type voltage-gated Ca2+ channel Cav2.2 is expressed predominantly at presynaptic neuronal terminals. They are predominantly expressed in nerve terminals, where they control neurotransmitter release. Also, this receptor transduces electrical activity into other cellular functions and plays an important role in processing pain information in nociceptive pathways. Objective: To date, genetic and pharmacological studies have identified that high threshold, Cav 2.2 channel receptor is important for pain sensation in disease models. This suggests that Cav 2.2 channel receptor inhibitors or modulators could be developed into useful drugs to treat neuropathic pain. Method: Many peptides are reported as potent and highly selective blockers of calcium channel function. Among them, cone snails are rich sources of such peptides and constitute class of conotoxins. Results: In this study, structural and binding analysis of ω-conotoxins class have been done against Cav 2.2 channel receptor to investigate their role as therapeutic agents and analgesics. Conclusions: Computational analysis revealed that certain structural motifs, in particular the inhibitor cysteine knot, prove to be quite common and play an important role in stability and inhibition of Cav2.2 along with certain other residues amongst this class of peptides

Author(s): Muhammad Sibte Hasan Mahmood

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