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Dissection of the potential pharmacological function of neohesperidin dihydrochalcone – a food additive – by in vivo substances profiling and network pharmacology
Food & Function ( IF 5.1 ) Pub Date : 2021-3-22 , DOI: 10.1039/d1fo00104c Feng-Xiang Zhang 1 , Yu-Lin-Lan Yuan , Shuang-Shuang Cui , Min Li , Xuan Tan , Zuo-Cheng Qiu , Rui-Man Li
Food & Function ( IF 5.1 ) Pub Date : 2021-3-22 , DOI: 10.1039/d1fo00104c Feng-Xiang Zhang 1 , Yu-Lin-Lan Yuan , Shuang-Shuang Cui , Min Li , Xuan Tan , Zuo-Cheng Qiu , Rui-Man Li
Affiliation
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Food additives are widely used in our daily life, and the side-effects caused by them have gained extensive attention around the world. Notably, constituent-oriented metabolites, in some sense, always contribute to pharmacological changes, inducing toxicity, therapeutic effects, etc. Characterization of the metabolites and their potential functions is of great importance to the practical applications. In this work, an integrated strategy by combining metabolite profiling and network pharmacology was applied to characterize the metabolic features and reveal pharmacological changes of neohesperidin dihydrochalcone (NHDC) in vivo to demonstrate its pharmacological mechanism and potential functions. As a result, a total of 19 metabolites (3 in plasma, 19 in urine, 8 in feces, 3 in heart, 5 in liver, 0 in spleen, 1 in lung, 2 in kidneys and 2 in brain) were screened and 18 of them were characterized for the first time. Phase I metabolic reactions of hydrolysis and phase II reactions of glucuronidation, sulfation, glutamylation, N-butyryl glycylation and lactylation were the main metabolic reactions of NHDC in vivo. Moreover, the results analyzed by network pharmacology revealed that, in addition to common pathways (steroid hormone biosynthesis) of NHDC, metabolites’ targets were involved in pathways in cancer, ovarian steroidogenesis, proteoglycans in cancer, PI3K-Akt signaling pathway and progesterone-mediated oocyte maturation, indicating that these functional changes might result in potential novel functions or other side-effects, such as a disorder of steroid hormones. Our work provided the metabolic features and functional modifications of NHDC in vivo for the first time, and meaningful information for further pharmacological validations or potential functions is supplied.
中文翻译：
通过体内物质分析和网络药理学剖析食品添加剂新橙皮苷二氢查耳酮的潜在药理功能
食品添加剂在我们的日常生活中广泛使用，其引起的副作用已引起世界各国的广泛关注。值得注意的是，从某种意义上说，成分导向的代谢物总是有助于药理变化、诱导毒性、治疗效果等。代谢物的表征及其潜在功能对于实际应用非常重要。在这项工作中，采用代谢物分析和网络药理学相结合的综合策略来表征新橙皮苷二氢查尔酮（NHDC）的代谢特征并揭示体内药理变化，以证明其药理机制和潜在功能。结果共筛选出 19 种代谢物（血浆 3 种、尿液 19 种、粪便 8 种、心脏 3 种、肝脏 5 种、脾 0 种、肺 1 种、肾 2 种、脑 2 种），18 种代谢物。其中的特征是首次被表征。水解的I相代谢反应和葡萄糖醛酸化、硫酸化、谷氨酰化、 N-丁酰甘酰化和乳酰化的II相反应是NHDC体内的主要代谢反应。此外，网络药理学分析结果显示，NHDC除了常见途径（类固醇激素生物合成）外，其代谢靶点还涉及癌症、卵巢类固醇生成、癌症中的蛋白多糖、PI3K-Akt信号通路和黄体酮介导的途径。卵母细胞成熟，表明这些功能变化可能会导致潜在的新功能或其他副作用，例如类固醇激素紊乱。 我们的工作首次提供了 NHDC在体内的代谢特征和功能修饰，并为进一步的药理学验证或潜在功能提供了有意义的信息。
更新日期：2021-04-20
中文翻译：
通过体内物质分析和网络药理学剖析食品添加剂新橙皮苷二氢查耳酮的潜在药理功能
食品添加剂在我们的日常生活中广泛使用，其引起的副作用已引起世界各国的广泛关注。值得注意的是，从某种意义上说，成分导向的代谢物总是有助于药理变化、诱导毒性、治疗效果等。代谢物的表征及其潜在功能对于实际应用非常重要。在这项工作中，采用代谢物分析和网络药理学相结合的综合策略来表征新橙皮苷二氢查尔酮（NHDC）的代谢特征并揭示体内药理变化，以证明其药理机制和潜在功能。结果共筛选出 19 种代谢物（血浆 3 种、尿液 19 种、粪便 8 种、心脏 3 种、肝脏 5 种、脾 0 种、肺 1 种、肾 2 种、脑 2 种），18 种代谢物。其中的特征是首次被表征。水解的I相代谢反应和葡萄糖醛酸化、硫酸化、谷氨酰化、 N-丁酰甘酰化和乳酰化的II相反应是NHDC体内的主要代谢反应。此外，网络药理学分析结果显示，NHDC除了常见途径（类固醇激素生物合成）外，其代谢靶点还涉及癌症、卵巢类固醇生成、癌症中的蛋白多糖、PI3K-Akt信号通路和黄体酮介导的途径。卵母细胞成熟，表明这些功能变化可能会导致潜在的新功能或其他副作用，例如类固醇激素紊乱。 我们的工作首次提供了 NHDC在体内的代谢特征和功能修饰，并为进一步的药理学验证或潜在功能提供了有意义的信息。
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