Structural mapping of Na<sub>v</sub>1.7 antagonists.

Wu, Qiurong; Huang, Jian; Fan, Xiao; Wang, Kan; Jin, Xueqin; Huang, Gaoxingyu; Li, Jiaao; Pan, Xiaojing et al. · Nat Commun · 2023

basic_science · Level V

Where this comes from

Abstract

Voltage-gated sodium (Na<sub>v</sub>) channels are targeted by a number of widely used and investigational drugs for the treatment of epilepsy, arrhythmia, pain, and other disorders. Despite recent advances in structural elucidation of Na<sub>v</sub> channels, the binding mode of most Na<sub>v</sub>-targeting drugs remains unknown. Here we report high-resolution cryo-EM structures of human Na<sub>v</sub>1.7 treated with drugs and lead compounds with representative chemical backbones at resolutions of 2.6-3.2 Å. A binding site beneath the intracellular gate (site BIG) accommodates carbamazepine, bupivacaine, and lacosamide. Unexpectedly, a second molecule of lacosamide plugs into the selectivity filter from the central cavity. Fenestrations are popular sites for various state-dependent drugs. We show that vinpocetine, a synthetic derivative of a vinca alkaloid, and hardwickiic acid, a natural product with antinociceptive effect, bind to the III-IV fenestration, while vixotrigine, an analgesic candidate, penetrates the IV-I fenestration of the pore domain. Our results permit building a 3D structural map for known drug-binding sites on Na<sub>v</sub> channels summarized from the present and previous structures.

Medical subject headings