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相关概念视频

GPCRs Regulate Adenylyl Cylase Activity01:09

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Some GPCRs transmit signals through adenylyl cyclase (AC), a transmembrane enzyme. AC helps synthesize second messenger cyclic adenosine monophosphate (cAMP). AC catalyzes cyclization reaction and converts ATP to cAMP by releasing a pyrophosphate. The pyrophosphate is further hydrolyzed to phosphate by the enzyme pyrophosphatase, which drives cAMP synthesis to completion. However, cAMP is rapidly degraded to 5′ AMP by the enzymes phosphodiesterase (PDE), preventing overstimulation of...
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End Point Prediction: Gran Plot01:07

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A Gran plot is used to predict the equivalence volume or endpoint of a potentiometric or acid-base titration without reaching the endpoint. Typically, titration data is collected as a function of the titrant's volume up to a point less than the equivalence volume and then transformed into a linear format. The straight line is extended to the x-axis, indicating the necessary titrant volume to achieve the equivalence point.
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Classification of Neurotransmitters01:30

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Neurotransmitters play a crucial role in the communication between neurons in the autonomic nervous system. Neurons in the autonomic nervous system can be cholinergic or adrenergic depending on the neurotransmitters synthesized. Cholinergic neurons use acetylcholine as their primary neurotransmitter. This includes all the preganglionic fibers of the sympathetic and pre- and postganglionic fibers of the parasympathetic nervous systems. In addition, neurons of the somatic nervous system also use...
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Force Classification01:22

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Forces play a crucial role in the study of physics and engineering. They are essential in describing the motion, behavior, and equilibrium of objects in the physical world. Forces can be classified based on their origin, type, and direction of action.
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Transducer Mechanism: G Protein–Coupled Receptors01:30

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G Protein–Coupled Receptors (GPCRs) are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to various stimuli. GPCRs regulate critical physiological pathways and are excellent drug targets for treating diseases such as diabetes, cancer, obesity, depression, or Alzheimer's. Nearly 35% of approved drugs implement their therapeutic effects by selectively interacting with specific GPCRs.
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Heterotrimeric G proteins are guanine nucleotide-binding proteins. As the name suggests, heterotrimeric G proteins are composed of three subunits: alpha, beta, and gamma. They remain GDP-bound or GTP-bound inside the cells and switch between inactive/active states. The Gα subunit possesses the nucleotide-binding pocket that binds guanine nucleotides and switches between GDP or GTP-bound states. In contrast, the Gꞵ and Gγ subunits are always bound together with high...
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Author Spotlight: Impact of Intergenic Interactions on Disease-Identifying Dark Biomarkers
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基于深度学习的GPR151激活器活动预测分类模型.

Huangchao Xu1,2, Baohua Zhang1, Qian Liu3

  • 1Computer Network Information Center, Chinese Academy of Sciences, Dongsheng Sourth Street No.2, Haidian District, Beijing, 100190, China.

BMC bioinformatics
|June 9, 2023
PubMed
概括
此摘要是机器生成的。

我们开发了一个新的深度学习模型来预测G蛋白结合受体151 (GPR151) 激活器活性. 这种方法提高了药物发现的虚拟查效率,在识别潜在的候选药物方面实现了高准确性.

关键词:
活动预测活动预测.深度学习是一种深度学习.功能提取器 功能提取器

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科学领域:

  • 生物化学 生物化学
  • 计算化学的计算化学
  • 药理学 药理学是指药理学的学科.

背景情况:

  • G蛋白结合受体151 (GPR151) 与各种生理和病理过程有关.
  • GPR151激活剂显示出对代谢障碍的治疗潜力,需要进一步研究.
  • 准确的活动预测模型对于有效的药物发现和虚拟查至关重要.

研究的目的:

  • 开发一种可靠的,基于学习的方法来预测GPR151激活器活性.
  • 提高在药物发现早期阶段虚拟查的效率.
  • 探索新的分子特征提取技术,以提高预测性能.

主要方法:

  • 引入了一种新的分子特征提取算法,其灵感来源于词袋模型.
  • Mol2vec被用于多种分子特征提取.
  • 用三种特征选择算法和三种深度学习模型进行活动预测.
  • 评估了五种不同的分类器,包括SVM.

主要成果:

  • 拟议的基于深度学习的特征提取方法与传统算法相比,表现出优越的性能.
  • 最佳模型Mol2vec-CNN显著提高了分类的准确性和稳定性.
  • SVM分类器获得了最高的准确性 (0.92) 和F1得分 (0.76).

结论:

  • 开发的深度学习模型对于GPR151激活器活动预测是有效的.
  • 特性提取算法在活动预测任务中表现优于传统方法.
  • 该模型在药物虚拟查的预选阶段显示出有希望的实用性.