探索治疗点和治疗肥胖的候选药物:一个联合的网络药理学,生物信息学方法
Bandar Aloufi1, Fahad M Alshabrmi2, Nagaraja Sreeharsha3,4
1Department of Biology, College of Science, University of Ha'il, Ha'il, Saudi Arabia.
Journal of biomolecular structure & dynamics
|October 9, 2023
概括
沙特阿拉伯的肥胖治疗可以使用本地药用植物进行. 网络药理学和生物信息学从塔伊夫山谷的植物中确定了强大的植物化学物质,显示了对代谢调节和脂肪积累的承诺.
科学领域:
- 药理学 药理学是指药理学的学科.
- 生物信息学是一种生物信息学.
- 传统医学的传统医学.
背景情况:
- 肥胖是一种全球性流行病,在沙特阿拉伯的流行率很高.
- 传统医学,利用药用植物,在沙特阿拉伯具有文化意义.
- 治疗肥胖需要创新的方法,将现代科学与传统知识相结合.
研究的目的:
- 为了确定从土著塔伊夫山谷植物中有效的植物化学物质用于治疗肥胖.
- 探索网络药理学和生物信息学在发现天然抗肥胖化合物的潜力.
- 用分子和细胞模型验证选定植物化合物的疗效.
主要方法:
- 对六种土著沙特植物 (Senna alexandrina,Capsicum annuum,Zingiber officinale,Curcuma longa,Trigonella foenum-graecum,Foeniculum vulgare) 的生物活性化合物进行选.
- 网络药理学和生物信息学分析,以构建一个化合物向基因-肥胖网络.
- 分子对接,分子动态模拟和基于脂肪细胞的测试,以评估化合物的有效性和安全性.
主要成果:
- 确定了关键的生物活性化合物,包括apigenin,kaempferol和cyclocurcumin.
- 化合物向网络突出显示了与代谢调节蛋白如AKT1和PTGS2.2的显著相互作用.
- 分子模拟证实了强大的结合亲和力和稳定性,而细胞模型显示了对脂肪细胞生存能力的积极影响.
结论:
- 来自沙特阿拉伯塔伊夫山谷的土著植物拥有有前途的植物化学物质,用于天然治疗肥胖.
- 这项研究验证了网络药理学和生物信息学的整合,用于发现新型治疗剂.
- 这些发现为开发针对肥胖的基于族裔植物学的策略提供了基础.
相关概念视频
01:26Targets for Drug Action: Overview
6.3K
Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
6.3K
01:27Transducer Mechanism: Enzyme-Linked Receptors
2.5K
Enzyme-linked receptors are cell-surface receptors acting as an enzyme or associating with an enzyme intracellularly. They make excellent drug targets. Drugs can bind to the extracellular ligand-binding domain or directly affect their enzymatic domain and alter their activity.
Major types that are helpful drug targets include:
Major types that are helpful drug targets include:
2.5K
02:26Protein Networks
4.0K
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
4.0K
01:26Drug Discovery: Overview
8.0K
Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
8.0K
01:24Principles of Drug Action
6.1K
Drugs are chemical substances that modify biological responses by interacting with macromolecular targets such as receptors, ion channels, transporters, and enzymes. Pharmacodynamics describes the course of action of drugs leading to the physiological effect at a specific site in the body.
Drugs can be agonists or antagonists. Like the endogenous ligands, agonists always bind and activate the target to produce a cellular response. Agonist binding induces a conformational change which in turn...
Drugs can be agonists or antagonists. Like the endogenous ligands, agonists always bind and activate the target to produce a cellular response. Agonist binding induces a conformational change which in turn...
6.1K
01:15G Protein-coupled Receptors
12.2K
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.
GPCRs are also called heptahelical, 7TM, or serpentine receptors, and consist of seven (H1-H7) transmembrane alpha-helices that span the bilayer to form a cylindrical core. The transmembrane helices are connected by three extracellular loops and three...
GPCRs are also called heptahelical, 7TM, or serpentine receptors, and consist of seven (H1-H7) transmembrane alpha-helices that span the bilayer to form a cylindrical core. The transmembrane helices are connected by three extracellular loops and three...
12.2K