槲皮素和结构相似的类黄酮作为与雌激素受体相互作用的成骨诱导剂的网络药理学和计算机研究。

IF 2.5 4区医学 Q3 ENDOCRINOLOGY & METABOLISM

Archives of Physiology and Biochemistry Pub Date : 2025-03-31 DOI:10.1080/13813455.2025.2483910

Mohammad-Sadegh Lotfi, Hamidreza Jamali, Fatemeh B Rassouli

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引用次数: 0

摘要

背景：骨质疏松症是一个全球性的健康挑战，尤其是在人口老龄化的背景下。槲皮素、异鼠李素、木犀草素、异槲皮素、槲皮素和杉木素是具有相似结构的天然类黄酮，可诱导个体发生。方法：本研究分析雌激素信号和骨形态发生的相关蛋白，并利用Cytoscape进行枢纽基因的鉴定，然后进行通路分析。然后，确定黄酮类化合物的分子靶点和骨质疏松相关靶点，并检测重叠。分子对接和动力学模拟评估了类黄酮与内质网的相互作用。结果：该研究确定了14个与骨质疏松症相关的基因产物，包括ESR1和ESR2。富集分析证实ESR参与多种生物过程。SwissTargetPrediction强调槲皮素和异鼠李素是ESR1和ESR2的有利靶点。分子对接和动力学分析表明，黄酮类化合物与ERα和ERβ的结合良好且稳定。结论：这些相互作用提示了天然黄酮类化合物靶向内质网治疗骨质疏松的治疗潜力，为今后临床前和临床研究奠定了基础。

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Network pharmacology and in silico study of quercetin and structurally similar flavonoids as osteogenesis inducers that interact with oestrogen receptors.

Background: Osteoporosis poses a global health challenge, particularly with an ageing population. Quercetin, isorhamnetin, avicularin, isoquercetin, quercitrin, and taxifolin are natural flavonoids with similar structure that induce ontogenesis.

Methods: In the present study, proteins in oestrogen signalling and bone morphogenesis were analysed, and hub genes were identified with Cytoscape, followed by pathway analysis. Then, molecular targets of flavonoids and osteoporosis-related targets were identified, and overlaps were detected. Molecular docking and dynamics simulations assessed flavonoid interactions with ERs.

Results: The study identified 14 gene products linked to osteoporosis, including ESR1 and ESR2. Enrichment analyses confirmed ESR involvement in various biological processes. SwissTargetPrediction highlighted quercetin and isorhamnetin as favourable targets for ESR1 and ESR2. Molecular docking and dynamics revealed favourable and stable binding of flavonoids to ERα and ERβ.

Conclusion: These interactions suggest therapeutic potential of natural flavonoids for osteoporosis treatment by targeting ERs, laying a foundation for future research in preclinical and clinical settings.

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来源期刊

Archives of Physiology and Biochemistry ENDOCRINOLOGY & METABOLISM-PHYSIOLOGY

CiteScore

6.90

自引率

3.30%

发文量

期刊介绍： Archives of Physiology and Biochemistry: The Journal of Metabolic Diseases is an international peer-reviewed journal which has been relaunched to meet the increasing demand for integrated publication on molecular, biochemical and cellular aspects of metabolic diseases, as well as clinical and therapeutic strategies for their treatment. It publishes full-length original articles, rapid papers, reviews and mini-reviews on selected topics. It is the overall goal of the journal to disseminate novel approaches to an improved understanding of major metabolic disorders. The scope encompasses all topics related to the molecular and cellular pathophysiology of metabolic diseases like obesity, type 2 diabetes and the metabolic syndrome, and their associated complications. Clinical studies are considered as an integral part of the Journal and should be related to one of the following topics: -Dysregulation of hormone receptors and signal transduction -Contribution of gene variants and gene regulatory processes -Impairment of intermediary metabolism at the cellular level -Secretion and metabolism of peptides and other factors that mediate cellular crosstalk -Therapeutic strategies for managing metabolic diseases Special issues dedicated to topics in the field will be published regularly.