基于 UPLC-Q-TOF-MS 的泽兰体内外化学成分解析及其抗卵巢癌的网络药理学机制研究OA
Investigation of the chemical components of Lycopus lucidus in vitro and in vivo based on UPLC-Q-TOF-MS and the network pharmacology mechanism against ovarian cancer
目的 系统分析泽兰化学成分及入血成分,为阐明泽兰抗卵巢癌药效物质基础提供理论依据.方法 运用超高效液相色谱-四极杆飞行时间串联质谱(UPLC-Q-TOF-MS)技术,结合文献、数据库以及二级碎片离子信息,对泽兰提取物、空白血浆及含药血浆成分进行表征及鉴定;利用 SwissTargetsPrediction、GeneCards 数据库检索筛选泽兰入血成分抗卵巢癌作用靶点,明确泽兰抗卵巢癌药效物质基础,最后通过不同浓度泽兰提取物干预SKOV-3卵巢癌细胞,评价泽兰对 SKOV-3 卵巢癌细胞活力影响.结果 通过比较相同检测条件下泽兰提取物、空白血浆、含药血浆,从泽兰提取物中初步鉴定了 49 化合物,包括黄酮类、萜类、酚类等;从泽兰含药血浆中鉴定表征了 12 个入血成分.基于此,通过网络药理学挖掘泽兰抗卵巢癌关键靶点 10 个,且泽兰提取液可呈剂量依赖性促进 SKOV-3 卵巢癌细胞凋亡.结论 系统分析鉴定了泽兰提取物及其入血化学成分,发现泽兰入血成分可能是其发挥抗卵巢癌作用的药效成分,进一步明确了泽兰抗卵巢癌药效物质基础.
Objective To systematically analyze the chemical components of Lycopus lucidus and its blood-absorbed components,thereby providing a theoretical basis for elucidating the pharmacodynamic material basis of its anti-ovarian cancer effects.Methods UPLC-Q-TOF-MS was employed to characterize and identify components in the Lycopus lucidus extract,blank plasma,and drug-containing plasma,by consulting literature and databases and analyzing secondary fragment ions.The SwissTargetPrediction and GeneCards databases were used to retrieve and screen the targets of the blood-absorbed components against ovarian cancer,aiming to clarify the pharmacodynamic material basis.Finally,SKOV-3 ovarian cancer cells were treated with different concentrations of the extract to evaluate its impact on cell viability.Results By comparing the extract,blank plasma,and drug-containing plasma under identical analytical conditions,49 compounds were preliminarily identified from the Lycopus lucidus extract,including flavonoids,terpenoids,and phenolics.Among these,12 components were characterized as blood-absorbed constituents.Based on this,network pharmacology identified 10 key targets related to the anti-ovarian cancer activity of Lycopus lucidus.Furthermore,the Lycopus lucidus extract promoted SKOV-3 cell apoptosis in a dose-dependent manner.Conclusion This study systematically identified the chemical components of the Lycopus lucidus extract and its blood-absorbed constituents.The results indicate that the blood-absorbed components are likely the effective substances responsible for its anti-ovarian cancer effects,further clarifying the pharmacodynamic material basis of Lycopus lucidus against ovarian cancer.
焦柱铖;包永睿;王帅;李天娇;孟宪生
辽宁中医药大学药学院,辽宁 大连 116600辽宁中医药大学药学院,辽宁 大连 116600||辽宁省中药多维分析专业技术创新中心,辽宁 大连 116600||辽宁省现代中药研究工程实验室,辽宁 大连 116600辽宁中医药大学药学院,辽宁 大连 116600||辽宁省中药多维分析专业技术创新中心,辽宁 大连 116600||辽宁省现代中药研究工程实验室,辽宁 大连 116600辽宁中医药大学药学院,辽宁 大连 116600||辽宁省中药多维分析专业技术创新中心,辽宁 大连 116600||辽宁省现代中药研究工程实验室,辽宁 大连 116600辽宁中医药大学药学院,辽宁 大连 116600||辽宁省中药多维分析专业技术创新中心,辽宁 大连 116600||辽宁省现代中药研究工程实验室,辽宁 大连 116600
医药卫生
泽兰入血成分卵巢癌SKOV-3 细胞超高效液相色谱-四极杆飞行时间串联质谱网络药理学
Lycopus lucidus Turcz.var.hirtus RegelBlood-absorbed componentsOvarian cancerSKOV-3 cellUPLC-Q-TOF-MSNetwork pharmacology
《药学研究》 2026 (4)
381-387,415,8
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