Dequalinium-based bitopic ligands uncover distinct pharmacological modulation of muscarinic receptors

receptor, revealing an unexpected functional profile. Docking and molecular dynamics simulations provided a structural rationale for these findings, highlighting stable bitopic binding poses and linker-dependent optimization of receptor contacts. Overall, these results demonstrate that dequalinium-based bitopic ligands can encode distinct functional outcomes at muscarinic receptors, offering new insights into the design of ligands with tailored signaling profiles.