基于网络药理学和分子对接探讨莪术醇抗脑心肌炎病毒的作用机制

doi:10.16431/j.cnki.1671-7236.2023.01.034

Abstract

Abstract: 【Objective】 The purpose of this study was to discover the target and mechanism of curcumol against Encephalomyocarditis virus (EMCV) using network pharmacology and molecular docking technology.【Method】 The potential targets of curcumol against EMCV were obtained through PharmMapper and GeneCards databases.Cytoscape 3.7.2 software, STRING and DAVID databases were used to construct the target protein-protein interaction (PPI) network to screen the key targets.GO function and KEGG pathway enrichment analysis were carried out for the target proteins.Network model of curcumol anti-EMCV targets pathway was constructed.The binding energy and binding mode of curcumol with target protein were analyzed by AutoDock Vina 1.1.2.【Result】 The results of network analysis showed that there were 9 potential targets of curcumol anti-EMCV.Mitogen-activated protein kinase 14 (MAPK14), signal transducer and activator of transcription 1 (STAT1), albumin (ALB) and interleukin 2 (IL2) might be the core targets of curcumol anti-EMCV.The targets participated in metabolic pathways such as C-type lectin receptor, neurotrophin and JAK-STAT signaling pathways, and their function involved regulation of cytokine production in inflammatory response, protein kinase activity and drug binding etc.Molecular docking showed that there was strong binding energy between the four core target proteins and curcumol.There was hydrophobic binding between the core target proteins and curcumol, and there was hydrogen bond binding between ALB, STAT1 and IL2 with curcumol.【Conclusion】The results of this study indicated that, curcumol might play the anti-EMCV role by acting on the key protein of MAPK14, STAT1, ALB and IL2.This study provided theoretical basis and clues for the research and development of curcumol as an anti-EMCV drug.

Key words: curcumol; Encephalomyocarditis virus (EMCV); network pharmacology; molecular docking; target

CLC Number:

S853.74

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.

References

[1] CAROCCI M, BAKKALI K L.The Encephalomyocarditis virus[J].Virulence, 2012, 3:351-367.
[2] FENG R F, WEI J, ZHANG H X, et al.National serosurvey of Encephalomyocarditis virus in healthy people and pigs in China[J].Archives of Virology, 2015, 160(12):2957-2964.
[3] WEI W, RASUL A, SADIQA A, et al.Curcumol:From plant roots to cancer roots[J].International Journal of Biological Sciences, 2019, 15:1600-1609.
[4] HASHEM S, NISAR S, SAGEENA G, et al.Therapeutic effects of curcumol in several diseases:An overview[J].Nutrition and Cancer, 2021, 73:181-195.
[5] ZHENG J G, XU Y L, KHAN A, et al.Curcumol inhibits Encephalomyocarditis virus by promoting IFN-β secretion[J].BMC Veterinary Research, 2021, 17:318.
[6] ZHANG R, ZHU X, BAI H, et al.Network pharmacology databases for traditional Chinese medicine:Review and assessment[J].Frontiers in Pharmacology, 2019, 10:123.
[7] 郝江花, 孙娜, 孙盼盼, 等.基于网络药理学和分子对接分析苦参碱抗PRRSV的作用机制[J].畜牧兽医学报, 2021, 52(3):809-819. HAO J H, SUN N, SUN P P, et al.A study on mechanism of matrine against PRRSV based on network pharmacology and molecular docking[J].Acta Veterinaria et Zootechnica Sinica, 2021, 52(3):809-819.(in Chinese)
[8] 史玲艾, 丁翠, 杜静, 等.莪术油注射液治疗小儿病毒性心肌炎疗效观察[J].河北中医, 2004, 26(3):226. SHI L A, DING C, DU J, et al.Curative effect observation of curcuma oil injection in the treatment of children with viral myocarditis[J].Hebei Journal of Traditional Chinese Medicine, 2004, 26(3):226.(in Chinese)
[9] 吴建敏.莪术油葡萄糖注射液治疗急性病毒性脑炎疗效观察[J].海峡药学, 2003, 1:49-50. WU J M.Curative effect observation of curcuma oil glucose injection in the treatment of acute viral encephalitis[J].Strait Pharmaceutical Journal, 2003, 1:49-50.(in Chinese)
[10] 李若青, 田继刚, 杨芳, 等.2019-新型冠状病毒感染的肺炎患者血清白蛋白浓度与淋巴细胞水平关系的临床研究[J].中华急诊医学杂志, 2020, 4:478-482. LI R Q, TIAN J G, YANG F, et al.The clinical study on the relationship between serum albumin concentration and lymphocyte levelsin patients with 2019-novel Coronavirus pneumonia[J].Chinese Journal of Emergency Medicine, 2020, 4:478-482.(in Chinese)
[11] 童一宇, 陈阳, 徐琪, 等.异位表达的鸭白蛋白下调鸡DF-1细胞IFN-β和Mx1 mRNA的表达[J].细胞与分子免疫学杂志, 2014, 30(9):917-920. TONG Y Y, CHEN Y, XU Q, et al.Ectopic expression of duck albumin down-regulates the expression of IFN-β and Mx1 mRNA in chicken DF-1 cells[J].Chinese Journal of Cellular and Molecular Immunology, 2014, 30(9):917-920.(in Chinese)
[12] LAMICHHANE S, LEE S.Albumin nanoscience:Homing nanotechnology enabling targeted drug delivery and therapy[J].Archives of Pharmacal Research, 2020, 43(1):118-133.
[13] ABBAS A K, ELEONORA T, DIMITRE R S, et al.Revisiting IL-2:Biology and therapeutic prospects[J].Science Immunology, 2018, 3(25):eaat1482.
[14] 张悦, 姚宇, 梁玉灵, 等.柚皮素通过ROS/P38-MAPK信号通路调控肺癌A549细胞增殖及凋亡[J].中国免疫学杂志, 2021, 37(4):448-453. ZHANG Y, YAO Y, LIANG Y L, et al.Naringenin regulates the proliferation and apoptosis of lung cancer A549 cells through ROS/P38-MAPK signaling pathway[J].Chinese Journal of Immunology, 2021, 37(4):448-453.(in Chinese)
[15] ARAFA E A, REFAEY M S, ABD EL-GHAFARR O A M, et al.The promising therapeutic potentials of ginsenosides mediated through p38 MAPK signaling inhibition[J].Heliyon, 2021, 7:e08354.
[16] GOH K C, HAQUE S J, WILLIAMS B R.p38 MAP kinase is required for STAT1 serine phosphorylation and transcriptional activation induced by interferons[J].The EMBO Journal, 1999, 18(20):5601-5608.
[17] ODA K, MATOBA Y, IRIE T, et al.Structural basis of the inhibition of STAT1 activity by Sendai virus C protein[J].Journal of Virology, 2015, 89:11487-11499.
[18] LEI X, DONG X, MA R, et al.Activation and evasion of type Ⅰ interferon responses by SARS-CoV-2[J].Nature Communications, 2020, 11(1):3810.
[19] GUO L, LUO X, LI R, et al.Porcine epidemic diarrhea virus infection inhibits interferon signaling by targeted degradation of STAT1[J].Journal of Virology, 2016, 90(18):8281-8292.
[20] 楚红燕, 宫晓倩, 徐丘璠, 等.禽传染性支气管炎病毒拮抗JAK-STAT信号通路的研究[J/OL].中国动物传染病学报:1-10[2022-10-12].DOI:10.19958/j.cnki.cn31-2031/s.20210615.002. CHU H Y, GONG X Q, XU Q F, et al.Infectious Bronchitis virus antagonizes JAK-STAT signal pathway[J/OL].Chinese Journal of Animal Infectious Diseases:1-10[2022-10-12].DOI:10.19958/j.cnki.cn31-2031/s.20210615.002.(in Chinese)
[21] 马贵凤, 祝洁, 曹慧军, 等.EGCG通过p38信号因子诱导IFN-β抗甲型流感病毒感染的研究[J].中国现代应用药学, 2021, 38:661-666. MA G F, ZHU J, CAO H J, et al.Study on EGCG against Influenza A virus through inducing the production of IFN-β by the p38 signal factor[J].Chinese Journal of Modern Applied Pharmacy, 2021, 38:661-666.(in Chinese)

Study on Mechanism of Curcumol Against Encephalomyocarditis Virus Based on Network Pharmacology and Molecular Docking

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments

[1]	WANG Saiqiao, ZHAO Lu, ZHAI Zhenhan, ZHANG Binglei, JIA Wanhang, WANG Yuqin. Tissue Expression and Bioinformatics Analysis of miR-449a/b Precursor Sequences in Sheep [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(6): 2175-2184.
[2]	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.
[3]	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.
[4]	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.
[5]	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.
[6]	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.
[7]	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.
[8]	CHANG Yitong, ZHANG Wei, PENG Yinglin, CHEN Chen. Evolutionary Analysis,Target Gene Prediction and Tissue Expression Analysis of miR-192 [J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(3): 882-892.
[9]	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.
[10]	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.
[11]	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.
[12]	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.
[13]	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.
[14]	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.
[15]	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.