Open access
Sep 2026
Dissecting affinity determinants of benzotriazine-based ligands at sigma-1 receptor: a multilevel molecular dynamics analysis.
The sigma-1 receptor (S1R) is a chaperone protein involved in several physiological and pathological processes and represents an attractive target for the development of neuroactive and anticancer agents. Among S1R ligands, 3,3-disubstituted 3,4-dihydro-1,2,4-benzotriazines constitute a pharmacologically relevant but m...
M. Tonelli, Valeria Francesconi, Bruno Tasso et al.
· Bioorganic chemistry (Print) · 0 citations