Three-dimensional Quantitative Structure–activity Relationship, Molecular Docking and Absorption, Distribution, Metabolism, and Excretion Studies of Lidocaine Analogs Pertaining to Voltage-gated Sodium Channel Nav1.7 Inhibition for the Management of Neuropathic Pain
This analysis reveals improved Na v 1.7 inhibition in neuropathic pain using 3D QSAR and molecular docking, suggesting therapeutic potential for new lidocaine analogs.
Key Points
Lidocaine analogs showed increased specificity for Na v 1.7 inhibition, suggesting effective pain management.
3D QSAR studies indicated that hydrophobic groups enhanced channel specificity through structural properties.
Molecular docking revealed that compounds A15, A14, A6, and A5 had higher binding affinity than lidocaine.
ADME predictions suggest favorable oral bioavailability and solubility for the new compounds, indicating therapeutic viability.