基于网络药理学揭示复合植物精油药理活性及作用机制

doi:10.16431/j.cnki.1671-7236.2023.05.040

Abstract

Abstract: 【Objective】 The purpose of this experiment was to explore the pharmacological activity and overall mechanism of compound plant essential oils (oregano essential oil,cinnamaldehyde,Eucalyptus oil) based on network pharmacology.【Method】 The targets of compound plant essential oils were screened using TCMSP database.The drug-ingredient-target network was constructed by Cytoscape 3.7.1 software,and PPI network was constructed by STRING and visualization.The targets were annotated by GO function and KEGG pathway enrichment analysis through DAVID database.And AutoDock Vina software was used for molecular docking of selected active components and key targets.【Result】 Compound plant essential oils acted on the key targets including interleukin 6 (IL6),prostaglandin-endoperoxide synthase 2 (PTGS2),Toll-like receptors 4 (TLR4),transcription factor p65 (RELA),nitric-oxide synthase,endothelial (NOS3),aryl hydrocarbon receptor (AHR),cytochrome P450 1A1 (CYP1A1),NF-kappa-B inhibitor alpha (NFKBIA),gamma-aminobutyric-acid receptor alpha-2 subunit (GABRA2) and so on with 8 active ingredients.The GO function enrichment analysis showed that 269 items were obtained,181 items were related to biological processes,involving adenylate cyclase-activating adrenergic receptor signaling pathway,regulation of postsynaptic membrane potential,etc.,59 items related to cell components,involving integral component of plasma membrane,neuron projection,etc..29 items related to molecular functions,involving neurotransmitter receptor activity,excitatory extracellular ligand-gated ion channel activity,etc..KEGG pathway analysis showed that 72 items related to signal pathways,and participated in the regulation of neuroactive ligand-receptor interaction,lipid and atherosclerosis,cGMP-PK signaling pathway,calcium signaling pathway,TLR signaling pathway,Th17 cell differentiation,etc..It was also associated with alcoholic liver disease,Kaposi sarcoma-associated Herpesvirus infection and other diseases.The results of molecular docking showed that the core components such as eugenol,caryophyllene,thymol were closely bound to the key targets such as IL6 and PTGS2,and had good affinity.【Conclusion】 The compound plant essential oils might act on key targets such as eugenol,caryophyllene,thymol,D-limonene,cinnamaldehyde and other active ingredients,played an important role mainly through regulating of nerves and immune systems,anti-bacterial,anti-inflammatory and anti-tumor signaling pathways acting on IL6,PTGS2,TLR4,RELA and other key targets.The compound plant essential oils had a multi-component,multi-target,multi-pathway action mechanism.

Key words: oregano essential oil; cinnamaldehyde; Eucalyptus oil; network pharmacology

CLC Number:

S859.7

HU Xiangyun, YI Xianfeng, HUANG Zhichao, WU Siqian, CHEN Zhengyu, LYU Lingyan, Huang Chao, SU Yongchun. Pharmacological Activity and Action Mechanism of Compound Plant Essential Oils Revealed Based on Network Pharmacology[J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(5): 2139-2148.

References

[1] 丁浩轩,赵阳,冯杰.基于网络药理学探讨植物提取物在饲料添加剂领域的研究进展[J].动物营养学报,2021,33(6):3065-3071. DING H X,ZHAO Y,FENG J.Research progress on discussion of plant extracts in field of feed additives based on network pharmacology[J].Chinese Journal of Animal Nutrition,2021,33(6):3065-3071.(in Chinese)
[2] 李娜,武晓英,赵文婧,等.牛至精油成分分析及其抗氧化性和抑菌活性研究[J].中国调味品,2020,45(9):29-33. LI N,WU X Y,ZHAO W J,et al.Composition analysis of oregano essential oils and their antioxidant activity and antibacterial activity[J].China Condiment,2020,45(9):29-33.(in Chinese)
[3] 郑云峰,沈水宝.牛至及其精油的生物学功能研究进展[J].饲料工业,2021,42(4):15-20. ZHENG Y F,SHEN S B.Advances in biological function of oregano and its essential oil[J].Feed Industry,2021,42(4):15-20.(in Chinese)
[4] 孙晓军,刘希望,李剑勇,等.丁香酚的药理学作用研究进展[J].湖北农业科学,2013,52(3):508-511. SUN X J,LIU X W,LI J Y,et al.Advance in pharmacological research of eugenol[J]. Hubei Agricultural Sciences,2013,52(3):508-511.(in Chinese)
[5] 张季林,魏惠珍,张洁,等.β-石竹烯生物学功能的研究进展[J].山东医药,2018,58(38):111-112. ZHANG J L,WEI H Z,ZHANG J,et al.Research progress on the biological function of β-caryophyllene[J].Shandong Medicine, 2018,58(38):111-112.(in Chinese)
[6] 窦秀静,房春洋,皇甫迎旭,等.百里香酚的功能及其在动物生产中的应用[J].动物营养学报,2020,32(12):5491-5499. DOU X J,FANG C Y,HUANGFU Y X,et al.Function of thymol and its application in animal production[J].Chinese Journal of Animal Nutrition,2020,32(12):5491-5499.(in Chinese)
[7] 刘洋,吉燕华,雒珂昕,等.柠檬烯应用的研究现状[J].中药药理与临床,2021,37(5):244-248. LIU Y,JI Y H,LUO K X,et al.Research status of limonene application[J].Pharmacology and Clinics of Chinese Materia Medica,2021,37(5):244-248.(in Chinese)
[8] 曲航,高鑫,伊娟娟,等.食源性天然产物对酒精性肝损伤的防护作用研究进展[J].食品科学,2020,41(17):283-290. QU H,GAO X,YIN J J,et al.Review on the protective effects of food-derived natural compounds on alcohol-induced liver injury[J]. Food Science,2020,41(17):283-290.(in Chinese)
[9] 赵前,高永生,朱丽云,等.肉桂精油的生理功能及其在畜禽健康中的应用研究进展[J].动物营养学报,2022,34(1):68-82. ZHAO Q,GAO Y S,ZHU L Y,et al.Research progress on physiological function of cinnamon essential oil and its application on livestock and poultry health[J].Chinese Journal of Animal Nutrition,2022,34(1):68-82.(in Chinese)
[10] 李振翼,宋泽和.香芹酚的生物活性及其在畜禽生产中的应用[J].湖南饲料,2020,4:36-38. LI Z Y,SONG Z H.The biological activity of carvacrol and its application in livestock and poultry production[J].Hunan Feed,2020,4:36-38.(in Chinese)
[11] DANIEL M C,SUNNY A,RUBAB S,et al.Antiviral activities of Eucalyptus essential oils:Their effectiveness as therapeutic targets against human viruses[J].Pharmaceuticals(Basel),2021,14(12):1210.
[12] ASHOK K D,VIJAY V P,SOBIA B,et al.Biological,medicinal and toxicological significance of Eucalyptus leaf essential oil:A review[J]. Journal of the Science of Food and Agriculture, 2018,98(3):833-848.
[13] JENKINS R H,HUGHES S T,FIGUERAS A C,et al.Unravelling the broader complexity of IL-6 involvement in health and disease[J].Cytokine,2021,148:155684.
[14] TRIFAN O C,HLA T.Cyclooxygenase-2 modulates cellular growth and promotes tumorigenesis[J].Journal of Cellular and Molecular Medicine,2007,7(3):207-222.
[15] 张娟,尚德静.Toll样受体4(TLR4)信号通路及其靶向药物的研究进展[J].细胞与分子免疫学杂志,2021,37(7):657-662. ZHANG J,SHANG D J.Research progress of TLR4 signaling pathway and its targeted drugs[J].Chinese Journal of Cellular and Molecular Immunology,2021,37(7):657-662.(in Chinese)
[16] 王思思,王泽友,李慧洋,等.TLR4受体在肿瘤中的研究进展[J].肿瘤药学,2022,12(4):455-464. WANG S S,WANG Z Y,LI H Y,et al.Research progress pf TLR4 receptor in tumor[J].Anti-tumor Pharmacy,2022,12(4):455-464.(in Chinese)
[17] 耿云峰,杜鸿斌,刘琳琳,等.NF-κB家族成员RelA的翻译后修饰及其生理病理作用的研究进展[J].生命科学,2020,32(5):431-438. GENG Y F,DU H B,LIU L L,et al.Research progress on post-translational modification of NF-κB family member RelA and its physiological and pathological effects[J].Chinese Bulletin of Life Science,2020,32(5):431-438.(in Chinese)
[18] 孙婷,池晴佳,王贵学.NOS3参与心血管疾病调控机制研究进展[J].生物医学工程学杂志,2016,33(1):194-198. SUN T,CHI Q J,WANG G X.Research progress of NOS3 participation in regulatory mechanism of cardiovascular diseases[J].Journal of Biomedical Engineering,2016,33(1):194-198.(in Chinese)
[19] MAN A W C,ZHOU Y W,XIA N,et al.Endothelial nitric oxide synthase in the perivascular adipose tissue[J].Biomedicines,2022,10(7):1754.
[20] 么秀华,徐立霞,闫华.芳香烃受体调节免疫应答的研究进展[J].免疫学杂志,2019,35(1):84-88. YAO X H,XU L X,YAN H.Research progress on aryl hydrocarbon receptors modulating immune responses[J].Immunological Journal,2019,35(1):84-88.(in Chinese)
[21] 周晓英,田李星,黄祺,等.细胞色素酶P4501A1(CYP1A1)与免疫性疾病关系的研究进展[J].感染、炎症、修复,2017,18(2):120-124. ZHOU X Y,TIAN L X,HUANG Q,et al.Research progress on the relationship between cytochromase P4501A1(CYP1A1) and immune diseases[J].Infection, Inflammation, Repair,2017,18(2):120-124.(in Chinese)
[22] 石勤业,郭剑,徐建红.核转录因子κB及其抑制因子研究[J].医学信息,2020,33(22):45-47. SHI Q Y,GUO J,XU J H.Nuclear transcription factor κB and its inhibitory factors[J].Journal of Medical Information,2020,33(22):45-47.(in Chinese)
[23] FENG Y,WEI Z H,LIU C,et al.Genetic variations in GABA metabolism and epilepsy[J].Seizure,2022,101:22-29.
[24] 高永生,金斐,朱丽云,等.植物精油及其活性成分的抗菌机理[J].中国食品学报,2022,22(1):376-388. GAO Y S,JIN F,ZHU L Y,et al.Antimicrobial mechanism of plant essential oils and its active ingredients[J].Journal of Chinese Institute of Food Science and Technology,2022,22(1):376-388.(in Chinese)
[25] 马思慧,杨欢,吴天成,等.Toll样受体信号传导通路的研究进展[J].中国畜牧兽医,2014,41(8):160-164. MA S H,YANG H,WU T C,et al.Research progress on Toll like receptors mediated signaling transduction pathway[J].China Animal Husbandry&Veterinary Medicine,2014,41(8):160-164.(in Chinese)
[26] 冯婧,李新胜,侯振江.Th17细胞分化与调控的研究进展[J].中国免疫学杂志,2021,37(13):1648-1655. FENG J,LI X S,HOU Z J.Advances in study of Th17 cell differentiation and regulation[J].Chinese Journal of Immunology,2021,37(13):1648-1655.(in Chinese)
[27] LAUSS M,KRIEGNER A,VIERLINGER K,et al.Characterization of the drugged human genome[J].Pharmacogenomics,2007,8(8):1063-1073.
[28] 张玉便,陈雪,刘红星.人类疱疹病毒8型相关疾病及致病机制研究进展[J/OL].中华临床医师杂志(电子版),2016,10(14):2180-2183. ZHANG Y B,CHEN X,LIU H X.Advances in Human herpesvirus 8 associated diseases and pathogenesis[J/OL].Chinese Journal of Clinicians(Electronic Edition),2016,10(14):2180-2183.(in Chinese)

Pharmacological Activity and Action Mechanism of Compound Plant Essential Oils Revealed Based on Network Pharmacology

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments

[1]	FAN Yimeng, WEI Yuanyuan, WANG Huiru, GA yu, ZHANG Yannan, ZHAO Qingyu, HAO Zhihui. Potential Mechanisms of Chinese Veterinary Medicine Compound Rukang Granules in the Treatment of Dairy Cow Mastitis Based on Network Pharmacology and Molecular Docking Technology [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(6): 2507-2517.
[2]	ZHAO Qianhui, LIU Ying, JIAO Yulan, SHI Wanyu, CHEN Fuxing. Exploring of the Mechanism of Cuscuta chinensis Flavonoids in Alleviating Reproductive Damage in Offspring Rats Exposed to Bisphenol A During Pregnancy Based on Network Pharmacology [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(6): 2550-2561.
[3]	ZHANG Xinyue, SUN Na, SUN Panpan, ZHANG Hua, FAN Kuohai, YIN Wei, SUN Yaogui, LI Hongquan. Mechanism of Scutellarin Against Follicular Atresia Based on Network Pharmacology and Molecular Docking [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(6): 2585-2593.
[4]	XU Chenghui, ZHANG Xumei, YANG Tong, LI Jiahui, SUN Yawei, SHI Huijun, FU Qiang, YANG Li. Molecular Mechanism of Leonurine in the Treatment of Intestinal Inflammation Based on Network Pharmacology and Molecular Docking [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(5): 2103-2113.
[5]	LIU Xinyu, CUI Qiang, ZHANG Lanxin, FAN Quanrong, LI Zhengyi, GAO Ruifeng. Study on Mechanism of Chebulagic Acid in Treatment of Cow Endometritis Based on Network Pharmacology and Molecular Docking [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(4): 1632-1641.
[6]	LIANG Tian, WANG Mingdi, SUN Peng, ZHU Aichen, ZHAO Qianhui, HUO Shuying. Network Pharmacological Analysis of the Anti-inflammatory Mechanism of Traditional Chinese Medicine Mixture Phellodendron amurense and Acorus calamus [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(3): 1195-1206.
[7]	DOU Jiahong, WANG Ziying, YANG Juan, ZHOU Weiwei, ZHANG Tongcun, HE Hongpeng, DAI Xiaofeng, LI Xiumei. Analysis of the Active Ingredients and Mechanism of Radix Paeoniae Rubra Antioxidative Stress Based on Network Pharmacology and Molecular Docking [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(3): 1229-1240.
[8]	HOU Tianmu, XIANG Wei, WANG Lingling, GUO Zhongbao, WU Lijun, ZHANG Fuxian. Effect of Fructus Mume-Scorpion Double Prescription on Micropterus salmoides Co-infected with Aeromonas [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(3): 1259-1270.
[9]	HAN Guorui, XIAO Xiaoyue, ZHANG Yang, LI Yanhua, CHEN Xueying, WANG Xiumin, QIN Junjie, LIU Yanyan. Mechanism of Gui Qi Yimu Oral Liquid in the Treatment of Sus scrofa Qi and Blood Two Deficiency Syndrome Based on Network Pharmacology and Molecular Docking [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(2): 722-733.
[10]	XIA Jinjin, YU Jie, LI Yana, LIU Jiali, YAN Pupu, CHEN Xiaolan, GUO Liwei. Study on the Mechanism of Mahuang Gancao Decoction in Treating Pulmonary Edema Based on Network Pharmacology [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(2): 764-778.
[11]	SUN Panpan, HOU Zhen, HAO Zhili, ZHENG Jiangang, SUN Na, FAN Kuohai, YIN Wei, LI Hongquan. Study on Mechanism of Curcumol Against Encephalomyocarditis Virus Based on Network Pharmacology and Molecular Docking [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(1): 341-348.
[12]	LIU Haoyuan, LI Yanjie, QIN Hewei, JIN Xiaoqin, NIU Yuqing, HUA Xiaoqiong, ZHANG Shuqin, NIU Li. Study on the Mechanism of WU Shen Venation Smooth Decoction on Atherosclerosis AopE^-/- Mice Based on Network Pharmacology [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(1): 377-389.
[13]	ZHANG Zufeng, ZHANG Yuxin, SUN Yuelong, ZHENG Wei, LI Xiumei. Study on Mechanism of Hawthorn in Regulating Oxidative Stress Based on Network Pharmacology and Molecular Docking [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(1): 408-420.
[14]	FAN Qiuyu, WU Jianwen, LI Huanrong. Network Pharmacology Analysis of Anti-inflammatory Activity of Medicinal Sophora japonica L. [J]. China Animal Husbandry and Veterinary Medicine, 2022, 49(9): 3622-3632.
[15]	FU Xueqin, LAN Rui, ZOU Xuhuan, WANG Weiwei, WANG Manman. Action Mechanism of Salvia miltiorrhiza-Ligusticum chuanxiong Against Cerebral Ischemia-reperfusion Injury Based on Network Pharmacology and Experimental Verification [J]. China Animal Husbandry and Veterinary Medicine, 2022, 49(9): 3643-3654.