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基于高通量分子建模的蝙蝠嗅觉受体超家族的进化。

Evolution of olfactory receptor superfamily in bats based on high throughput molecular modelling.

机构信息

College of Life Sciences, Shaanxi Normal University, Xi'an, China.

School of Life Sciences, Northwestern Polytechnical University, Xi'an, China.

出版信息

Mol Ecol Resour. 2024 Jul;24(5):e13958. doi: 10.1111/1755-0998.13958. Epub 2024 Apr 3.

DOI:10.1111/1755-0998.13958
PMID:38567648
Abstract

The origin of flight and laryngeal echolocation in bats is likely to have been accompanied by evolutionary changes in other aspects of their sensory biology. Of all sensory modalities in bats, olfaction is perhaps the least well understood. Olfactory receptors (ORs) function in recognizing odour molecules, with crucial roles in evaluating food, as well as in processing social information. Here we compare OR repertoire sizes across taxa and apply a new pipeline that integrates comparative genome data with protein structure modelling and then we employ molecular docking techniques with small molecules to analyse OR functionality based on binding energies. Our results suggest a sharp contraction in odorant recognition of the functional OR repertoire during the origin of bats, consistent with a reduced dependence on olfaction. We also compared bat lineages with contrasting different ecological characteristics and found evidence of differences in OR gene expansion and contraction, and in the composition of ORs with different tuning breadths. The strongest binding energies of ORs in non-echolocating fruit-eating bats were seen to correspond to ester odorants, although we did not detect a quantitative advantage of functional OR repertoires in these bats compared with echolocating insectivorous species. Overall, our findings based on molecular modelling and computational docking suggest that bats have undergone olfactory evolution linked to dietary adaptation. Our results from extant and ancestral bats help to lay the groundwork for targeted experimental functional tests in the future.

摘要

飞行和蝙蝠喉内回声定位的起源很可能伴随着其感觉生物学其他方面的进化变化。在蝙蝠的所有感觉模态中,嗅觉可能是理解最少的。嗅觉受体 (OR) 用于识别气味分子,在评估食物以及处理社交信息方面发挥着关键作用。在这里,我们比较了不同分类群的 OR 库大小,并应用了一种新的管道,该管道将比较基因组数据与蛋白质结构建模相结合,然后我们使用分子对接技术与小分子来分析基于结合能的 OR 功能。我们的结果表明,在蝙蝠起源过程中,功能性 OR 库的气味识别急剧收缩,这与对嗅觉的依赖性降低一致。我们还比较了具有不同生态特征的蝙蝠谱系,并发现了 OR 基因扩张和收缩以及具有不同调谐宽度的 OR 组成的差异的证据。在不进行回声定位的以水果为食的蝙蝠中,观察到 OR 的最强结合能对应于酯类气味剂,尽管与回声定位的食虫物种相比,我们没有发现这些蝙蝠的功能性 OR 库具有定量优势。总的来说,我们基于分子建模和计算对接的研究结果表明,蝙蝠经历了与饮食适应相关的嗅觉进化。我们对现存和祖先蝙蝠的研究结果为未来的有针对性的实验功能测试奠定了基础。

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