Computational Approaches for Decoding Select Odorant-Olfactory Receptor Interactions Using Mini-Virtual Screening
Fig 11
Binding mode of androstenone (agonist) and undecanal (antagonist) to the human olfactory receptor 1D2.
Both the odorants bind in the same binding pocket but interact with different residues. Val108, Val 109, Phe 168, Ile 187, Ser 230, Tyr 233 and Gly 234 are the common residues at the binding site. The figure is obtained using the “Ligand Interaction Diagram” of the GLIDE software (Schrödinger Release 2013–1:, version 2.6, Schrödinger, LLC, New York, NY, 2013).