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相关概念视频

G Protein-coupled Receptors01:15

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G Protein-Coupled Receptors or GPCRs are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to sensory stimuli such as light, odors, hormones, cytokines, or neurotransmitters.
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Agonists are drugs that interact with specific receptors in the body to produce a biological response. When an agonist binds to a receptor, it activates or enhances the receptor's function, leading to physiological effects. The interaction between agonist drugs and receptors is crucial for their therapeutic action in various medical treatments.
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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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The two-state receptor model explains a drug's interaction with receptors, such as G protein-coupled receptors and ligand-gated ion channels, to induce or inhibit a biological response. When no natural ligands are present, a receptor exists in an equilibrium of inactive (Ri) and active (Ra) conformations. The inactive form does not produce a response, while the active form generates a basal effect known as constitutive activity.
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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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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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通过基于深度学习的合奏模型预测GPR40激进分子

Jiamin Yang1, Chen Jiang1, Jing Chen1

  • 1School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou, P. R. China, 310053.

ChemistryOpen
|July 5, 2023
PubMed
概括
此摘要是机器生成的。

研究人员开发了一种强大的组合模型,用于识别G蛋白结合受体40 (GPR40) 激活剂,用于2型糖尿病治疗. 该模型有助于发现具有潜在心血管益处的新型GPR40激动剂.

关键词:
G 蛋白结合受体 40 接收器 40激进分子的激进分子.数据集数据集数据集深度学习是一种深度学习.组合模型组合模型组合模型

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科学领域:

  • 药理学和药物化学 药理学和药物化学
  • 计算机化药物发现技术
  • 内分泌学 在内分泌学.

背景情况:

  • G蛋白结合受体40 (GPR40) 是2型糖尿病管理的关键目标.
  • GPR40激动剂比现有的低血糖药具有优势,包括心血管保护和葡萄糖抑制.

研究的目的:

  • 为机器学习模型培训构建一个更新的 GPR40 带数据集.
  • 系统地优化一个多层组合模型,以区分GPR40激动剂和非激动剂.

主要方法:

  • 对GPR40连接体的数据集编译.
  • 开发和系统优化一个三层合奏模型.
  • 使用ROC AUC指标进行性能评估.

主要成果:

  • 开发了一个高度准确的组合模型,实现ROC AUC为0.9496.6.
  • 该模型有效地区分了GPR40激动剂和非激动剂.
  • 在整体模型的所有三个层进行了优化.

结论:

  • 开发的整体模型是识别潜在的GPR40激动剂的强大工具.
  • 这些发现将有助于开发用于2型糖尿病的新型GPR40向治疗方法.
  • 该研究还有助于在药物发现中推进组合建模技术.