Molecular mechanisms of fentanyl mediated β-arrestin biased signaling
Fig 2
A common pose for fentanyl binding.
a, Chemical structure of fentanyl, carfentanil, and lofentanil. b-c, Structural superposition and sidechain interactions of fentanyl and its derivatives within the μOR orthosteric site and their corresponding averaged free energy landscapes. Contours are drawn at 1, 3, and 5 kcal/mol. d, Side-by-side comparison of side-chain interactions mediated through lofentanil’s 3-cis methyl group and a common 4-carbomethoxy shared by carfentanil.