Computational Approaches for Decoding Select Odorant-Olfactory Receptor Interactions Using Mini-Virtual Screening
Fig 9
Binding mode of Helional and (-) Citronellol to human OR1A1.
Helional (a) forms three hydrogen bonds and one salt bridge with the residues of OR1A1, while Citronellol (b) forms only one H-bond with the residues of OR. Helional is known to be the most potent alcohol for human ORs. 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).