通过气味结构和受体激活档案来预测人类的嗅觉感知.
Yusuke Ihara1, Chiori Ijichi1, Yasuko Nogi1
1Institute of Food Sciences and Technologies, AJINOMOTO CO., INC., Kawasaki, Kanagawa 210-8681, Japan.
Chemical senses
|January 31, 2025
概括
了解人类的嗅觉需要从分子结构预测气味感知. 这项研究将嗅觉受体 (OR) 活动概况和3D分子形状与气味相似性联系起来,推进嗅觉感知的预测模型.
科学领域:
- 化学感知科学是一种化学感知科学.
- 计算化学是一种计算化学.
- 神经科学是一个神经科学.
背景情况:
- 人类的嗅觉精确地通过嗅觉受体 (ORs) 与气味分子相互作用来区分广泛的气味.
- 目前的方法将OR活动与气味描述器联系起来,或使用二维分子表示,为复杂的嗅觉感知提供有限的预测能力.
- 一个全面的理解需要探索结构-活动关系 (SAR) 相关的分子结构,或活动,和感知到的气味相似性.
研究的目的:
- 为了研究分子结构,OR活动概况和对eugenol, vaniillin 和相关化合物的感知气味相似性之间的相关性.
- 开发基于OR活动和3D分子结构特征的气味感知预测模型.
- 为了确定关键的分子特征驱动香味剂的感觉相似性.
主要方法:
- 对欧原醇,素和类似化合物进行SAR分析,测量OR活性概况.
- 开发了使用OR活动概况 (R2 = 0.687) 的eugenol相似度得分的预测模型.
- 使用3D形状和药指纹来分析结构相似性和预测感知气味相似性 (R2 = 0.514).
主要成果:
- 结构相似的化合物主要激活了一组特定的6个OR,其活性概况与感知相关.
- OR活动档案成功预测了尤根醇相似度得分.
- 3D分子形状和药指纹有效地预测了感知气味的相似性.
- 确定了影响感官相似性预测的关键分子结构特征.
结论:
- 开发了模型,从OR活动配置文件和3D气味结构中预测气味感知.
- 这些模型可以通过将大量的气味信息简化为OR活动概况来帮助理解嗅觉感知.
- 这些发现为更好地预测和理解人类嗅觉感知细微差别提供了一条途径.
相关概念视频
Physiology of Smell and Olfactory Pathway
7.9K
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.
The olfactory...
The olfactory...
7.9K
Olfactory Receptors: Location and Structure
8.7K
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...
8.7K
Olfaction
44.2K
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.
The olfactory receptors are embedded in the cilia of the...
The olfactory receptors are embedded in the cilia of the...
44.2K
G-Protein Gated Ion Channels
4.5K
GPCRs are primarily responsible for our sense of smell, taste, and vision. The binding of a sensory stimulus activates GPCR to stimulate effector proteins, many of which are ion channels in the sensory organs. GPCRs modulate the opening and closing of the target ion channels either directly by binding them, or by releasing second messengers that activate these channels. As ions move across the membrane, the membrane potential is altered, which induces an appropriate response.
Sensory...
Sensory...
4.5K
Tactile and Chemical Senses
277
Tactile senses encompass touch, temperature, and pain, each mediated by specific receptors. Touch receptors detect mechanical energy or pressure against the skin. Sensory fibers from these receptors enter the spinal cord and relay information to the brain stem. Here, most fibers cross over to the opposite side of the brain. The touch information then moves to the thalamus, which projects a map of the body's surface onto the somatosensory areas of the parietal lobes in the cerebral cortex.
277
Introduction to Special Senses
5.5K
Sensory receptors play an integral part in comprehending our external and internal environments. They receive diverse stimuli, converting them into the nervous system's electrochemical signals. This conversion occurs as the stimulus alters the sensory neuron's cell membrane potential, instigating the generation of an action potential. This action potential is subsequently transmitted to the central nervous system (CNS), which integrates with other sensory data or higher cognitive...
5.5K


