Investigation of the binding between olfactory receptors and odorant molecules in C. elegans organism

Biophys Chem. 2019 Dec:255:106264. doi: 10.1016/j.bpc.2019.106264. Epub 2019 Sep 11.

Abstract

The molecular mechanisms regulating the complex sensory system that underlies olfaction are still not completely understood. The compounds formed from the interaction of Olfactory Receptors (ORs) with volatile molecules play a crucial role in producing the sense of olfaction. Therefore, it is necessary to investigate the binding mechanisms between these receptors and small ligands. In this work, we focus our attention on C.elegans, this is a particularly suitable model organism because it is characterized by a nervous system composed of only 302 neurons. To study olfaction in C.elegans, we select 21 ORs from its olfactory neurons, and present a pipeline, consisting of several computational methods, with the aim of proposing a set of possible candidates for binding the selected C.elegans ORs. This pipeline introduces an approach based on the selection of templates, and threading, that takes advantage of the structural redundancy among membrane receptors. This procedure is widely replicable because it is based on algorithms that are publicly available and are freely hosted on institutional servers.

Keywords: C.elegans; Chemosensory; G-protein-coupled receptor; Olfactory receptors; Protein structure prediction; Volatile molecules.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Binding Sites
  • Caenorhabditis elegans / metabolism*
  • Caenorhabditis elegans Proteins / chemistry*
  • Caenorhabditis elegans Proteins / metabolism
  • Databases, Protein
  • Molecular Docking Simulation
  • Odorants / analysis*
  • Protein Binding
  • Protein Structure, Tertiary
  • Receptors, Odorant / chemistry*
  • Receptors, Odorant / metabolism

Substances

  • Caenorhabditis elegans Proteins
  • Receptors, Odorant