Research on Neuroimmune Gastrointestinal Diseases Based on Artificial Intelligence: Molecular Dynamics Analysis of Caffeine and DRD3 Protein.

IF 2.2 4区 医学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY
Yi Qin, Shuran Huo, Ana María González, Lizhong Guo, Javier Santos, Liangyu Li
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引用次数: 0

Abstract

Objectives: The aim of this study was to develop a clinical application model for the rational use of caffeine.

Background: Caffeine is related to the incidence of neuro immune gastrointestinal diseases. Coffee consumption needs to be optimized in order to reduce the incidence rate.

Purpose: By using KEEG analysis to explore potential molecular signaling pathways involved in the progression of neurological immune gastrointestinal diseases, and analyzing the details of this signaling Pathway using molecular simulation results, which can support AI system for doctor.

Methods: The research team designed a controlled experiment to analyze the differences in reward and reinforcement of Brain pleasure/addiction and dopamine related signaling pathways function between multiple groups of people with different coffee drinking habits and a blank control group. The study team used molecular dynamics methods to investigate the signaling route that links coffee with the binding of dopamine receptor D3.AI is used to predict the prevalence of gastric reflux disease.

Results: Human experiments have shown a correlation between caffeine intake and gastroesophageal reflux disease. AI algorithm results can provide clinical support, and molecular simulation results are consistent with human experimental results. Caffeine and DRD3 protein have a stable interaction system.

Conclusion: The research team elucidated the intermolecular interaction between caffeine and DRD3, and AI algorithms can predict the likelihood of disease occurrence, providing a new strategy for clinical practice. This study has passed ethical approval at Chifeng Cancer Hospital, and the ethical documents for this study have been submitted to the World Health Organization for filing.

基于人工智能的神经免疫性胃肠道疾病研究:咖啡因和DRD3蛋白的分子动力学分析。
目的:本研究旨在建立合理使用咖啡因的临床应用模型。背景:咖啡因与神经免疫性胃肠道疾病的发病率有关。为了降低发病率,咖啡消费需要优化。目的:通过KEEG分析,探索参与神经免疫性胃肠道疾病进展的潜在分子信号通路,并利用分子模拟结果分析该信号通路的细节,为医生人工智能系统提供支持。方法:研究小组设计对照实验,分析不同咖啡饮用习惯的多组人群和空白对照组在大脑愉悦/成瘾的奖励和强化以及多巴胺相关信号通路功能上的差异。研究小组利用分子动力学方法研究了咖啡与多巴胺受体D3结合的信号通路。人工智能用于预测胃反流疾病的患病率。结果:人体实验表明咖啡因摄入与胃食管反流病之间存在相关性。AI算法结果可提供临床支持,分子模拟结果与人体实验结果一致。咖啡因与DRD3蛋白具有稳定的相互作用系统。结论:研究团队阐明了咖啡因与DRD3的分子间相互作用,AI算法可以预测疾病发生的可能性,为临床实践提供了新的策略。本研究已通过赤峰肿瘤医院的伦理审批,并已向世界卫生组织提交本研究的伦理文件备案。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Current pharmaceutical biotechnology
Current pharmaceutical biotechnology 医学-生化与分子生物学
CiteScore
5.60
自引率
3.60%
发文量
203
审稿时长
6 months
期刊介绍: Current Pharmaceutical Biotechnology aims to cover all the latest and outstanding developments in Pharmaceutical Biotechnology. Each issue of the journal includes timely in-depth reviews, original research articles and letters written by leaders in the field, covering a range of current topics in scientific areas of Pharmaceutical Biotechnology. Invited and unsolicited review articles are welcome. The journal encourages contributions describing research at the interface of drug discovery and pharmacological applications, involving in vitro investigations and pre-clinical or clinical studies. Scientific areas within the scope of the journal include pharmaceutical chemistry, biochemistry and genetics, molecular and cellular biology, and polymer and materials sciences as they relate to pharmaceutical science and biotechnology. In addition, the journal also considers comprehensive studies and research advances pertaining food chemistry with pharmaceutical implication. Areas of interest include: DNA/protein engineering and processing Synthetic biotechnology Omics (genomics, proteomics, metabolomics and systems biology) Therapeutic biotechnology (gene therapy, peptide inhibitors, enzymes) Drug delivery and targeting Nanobiotechnology Molecular pharmaceutics and molecular pharmacology Analytical biotechnology (biosensing, advanced technology for detection of bioanalytes) Pharmacokinetics and pharmacodynamics Applied Microbiology Bioinformatics (computational biopharmaceutics and modeling) Environmental biotechnology Regenerative medicine (stem cells, tissue engineering and biomaterials) Translational immunology (cell therapies, antibody engineering, xenotransplantation) Industrial bioprocesses for drug production and development Biosafety Biotech ethics Special Issues devoted to crucial topics, providing the latest comprehensive information on cutting-edge areas of research and technological advances, are welcome. Current Pharmaceutical Biotechnology is an essential journal for academic, clinical, government and pharmaceutical scientists who wish to be kept informed and up-to-date with the latest and most important developments.
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