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Related Concept Videos

Olfaction01:25

Olfaction

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The sense of smell is achieved through the activities of the olfactory system. It starts when an airborne odorant enters the nasal cavity and reaches olfactory epithelium (OE). The OE is protected by a thin layer of mucus, which also serves the purpose of dissolving more complex compounds into simpler chemical odorants. The size of the OE and the density of sensory neurons varies among species; in humans, the OE is only about 9-10 cm2.
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Physiology of Smell and Olfactory Pathway01:20

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Humans detect odors with the help of specialized cells located in the upper part of the nasal cavity, called olfactory receptor neurons (ORNs). ORNs possess hair-like structures called cilia, which are receptive to sensations from the inhaled air. When an odorant molecule binds to a specific receptor on the cell of the cilia, it leads to a series of events that ultimately cause the ORN to send electrical signals to the olfactory bulb in the brain through the olfactory nerves.
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The process of olfaction, also known as the sense of smell, is a sophisticated chemical response system. The specialized sensory neurons that facilitate this process, known as olfactory receptor neurons, are situated in an upper segment of the nasal cavity, known as the olfactory epithelium. Olfactory sensory neurons are bipolar, with their dendrites extending from the epithelium's apex into the mucus that lines the nasal cavity. Airborne molecules, when inhaled, traverse the olfactory...
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Real-time In Vitro Monitoring of Odorant Receptor Activation by an Odorant in the Vapor Phase
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A Fully In Silico Protocol to Understand Olfactory Receptor-Odorant Interactions.

Bhavika Berwal1, Pinaki Saha2, Ritesh Kumar1,3

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This study introduces an in silico method to predict olfactory receptor (OR) structures and their interactions with odorants. The approach enhances understanding of smell mechanisms and aids in discovering new OR-odorant pairs.

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Area of Science:

  • Computational chemistry and structural biology
  • Olfactory receptor research
  • Chemosensation mechanisms

Background:

  • Understanding olfactory receptor (OR)-odorant interactions is vital for olfaction research, but limited experimental data hinders structural elucidation.
  • Innovative computational approaches are needed to explore the structural basis of smell and OR function.

Purpose of the Study:

  • To develop and validate an in silico protocol for predicting OR structures and odorant interactions.
  • To leverage homologous AlphaFold structures for a hybrid homology modeling strategy.
  • To apply the pipeline to identify novel OR-odorant pairs and understand binding mechanisms.

Main Methods:

  • Developed a hybrid homology modeling strategy using AlphaFold structures and molecular dynamics simulations for OR structure prediction.
  • Utilized K-nearest neighbor clustering on a database of 217 molecules to select representative odorants for docking.
  • Applied molecular docking to study interactions between olfactory receptors (OR51E2, OR51E1, OR51D1, OR51G2) and selected odorants.

Main Results:

  • The in silico protocol generated more stable OR structures compared to standalone AlphaFold models, validated by molecular dynamics.
  • The pipeline accurately reproduced known OR51E2-propionate interactions and was extended to homologous ORs.
  • Successfully verified over 25 established odorant-OR relationships and identified potential interactions for OR51G2.

Conclusions:

  • The developed computational framework offers an efficient method for predicting and characterizing OR-odorant pairs.
  • This approach can accelerate the discovery of potential therapeutic applications and advance the understanding of olfactory binding mechanisms.
  • The study provides a valuable tool for prioritizing experimental validation in olfactory research.