Structural conservation of the gabapentinoid binding site in human and Caenorhabditis elegans α2δ subunits: a docking and molecular dynamics perspective
Jabin Sultana, L. V. Mkrtchyan, Jesús D. Castaño, Jérôme R. E. del Castillo, Francis Beaudry
This study compares the structural features of human and C. elegans alpha2delta subunits to assess gabapentinoid binding site conservation using docking and molecular dynamics simulations.
bioRxiv · Sep 17, 2026 · PreprintPharmacology & Toxicology