目的：研究蟾酥中的化学成分,建立蟾酥HPLC指纹图谱,并探究其治疗新型冠状病毒肺炎（COVID-19）的活性成分和作用机制。方法：采用HPLC-Q-TOF/MS技术对蟾酥进行成分鉴定,建立HPLC指纹图谱,同时运用网络药理学方法进行靶点和通路分析。结果：通过质谱鉴别出87个化学成分,包含生物碱类、蟾蜍甾二烯类、氨基酸及其酰化物等;建立10批蟾酥HPLC指纹图谱,共标定17个共有峰,相似度均≥0.950,通过对照品指认出五羟色胺盐酸盐、蟾蜍色胺、蟾毒它灵、日蟾毒它灵、沙蟾毒精、蟾毒灵、华蟾酥毒基、酯蟾毒配基8个化学成分;其中华蟾酥它灵、19-氧代华蟾酥它灵及指纹图谱指认的8个成分为蟾酥发挥治疗COVID-19的关键成分,得到包括PIK3CA、AKT1、MAPK1等10个核心靶点,涉及冠状病毒-新冠肺炎通路、PI3K-Akt信号通路、免疫调节通路等。推测蟾酥可能通过直接抑制病毒、改善免疫功能和减少炎症反应来发挥作用。结论：建立的指纹图谱可较为全面的表征蟾酥药材,其主要色谱峰对应的成分与蟾酥治疗COVID-19密切相关,联合网络药理学为蟾酥治疗COVID-19活性成分及作用机制的研究奠定基础,为其他防治病毒感染成分的筛选提供参考。
Abstract
Objective Characterize the chemical constituents from Chansu, establish an HPLC fingerprint. And explore its active components and mechanism in the treatment of COVID-19. Methods The chemical components of Chansu were qualitatively identified with the help of HPLC-Q-TOF/MS. Establish an HPLC fingerprint. Through network pharmacology to analyze the target and pathway. Results Through analysis, 87 chemical components were identified, including alkaloids, bufadienolide, and amino acids and their acylates.10 batches of Chansu HPLC fingerprints were established.17 common peaks were obtained, and the similarity ≥ 0.950. Including 8 identified chromatographic components such as Serotonin hydrochloride, Bufotenine, Bufotalin, Gamabufotalin, Arenobufagin, Bufalin, Cinobufagin, Resibufogenin. Cinobufotalin, 19-oxocinobufotalin and the 8 components identified in the fingerprint are the key components of Chansu to play the role of COVID-19. Including PIK3CA, MAPK1, AKT1 etc, 10 core targets were obtained, involving Coronavirus disease-COVID-19, PI3K-Akt signaling pathway, Thyroid hormone signaling pathway etc. It may play a role by directly inhibiting the virus, improving the immune function and reducing the inflammatory response. Conclusion The established fingerprint can comprehensively characterize the medicinal materials of Chansu. Its main components corresponding to chromatographic peaks are related to the treatment of COVID-19. It laid a foundation for the active components and mechanism of action of Chansu in the treatment of COVID-19. It has reference for the screening of other components in the prevention and treatment of viral infection.
关键词
蟾酥 /
COVID-19 /
活性成分 /
HPLC指纹图谱 /
HPLC-Q-TOF/MS /
网络药理学
Key words
chansu /
COVID-19 /
active components /
HPLC fingerprint /
HPLC-Q-TOF/MS /
network pharmacology
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基金
江苏省自然科学基金面上项目（BK20181424）
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