利用网络药理学方法研究热毒宁注射液抗流感病毒的分子作用机制

doi:10.3866/PKU.WHXB201304171

Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (07): 1415-1420.doi: 10.3866/PKU.WHXB201304171

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles Next Articles

Study on Mechanism of the Reduning Injection on the Influenza Virus Using Network Pharmacology Method

ZHANG Xin-Zhuang¹, XIAO Wei², XU Xiao-Jie³, WANG Zhen-Zhong², CAO Ling², SUN Lan²

1 College of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210046, P. R. China;
2 National Key Laboratory of Pharmaceutical New Technology for Chinese Medicine, Kanion Pharmaceutical Corporation, Lianyungang 222002, Jiangsu Province, P. R. China;
3 College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China

Received:2013-02-22 Revised:2013-04-17 Published:2013-06-14
Contact: XIAO Wei, XU Xiao-Jie E-mail:xw_kanion@163.com;xiaojxu@pku.edu.cn
Supported by:
The project was supported by the“Innovative Drug Development”Key Project of the Ministry of Science and Technology of China (2011ZX09304).

Abstract

Abstract:

The mechanisms of the Reduning injection on the influenza virus were studied by computer methods at the molecular level, including docking and network analysis. A neuraminidase (NA) activity assay was used to verify the predicted results in vitro. Results show that most of the compounds in the Reduning injection exhibit good drug-like properties. The mechanism of the Reduning injection may be that it affects viral entry, RNA synthesis, or viral release, which limits influenza virus replication. Potential active molecules of the Reduning injection were found by analyzing the network parameters of compound-target interaction networks. The experimental results suggest that of the potential active molecules, luteolin displayed significant inhibitory activity toward the influenza A virus, while quercetin proved less effective, which supports the predicted results.

Key words: Network pharmacology, Reduning, Influenza virus, Traditional Chinese medicine, Neuraminidase

Click here to download Supporting Info material in PDF type

ZHANG Xin-Zhuang, XIAO Wei, XU Xiao-Jie, WANG Zhen-Zhong, CAO Ling, SUN Lan. Study on Mechanism of the Reduning Injection on the Influenza Virus Using Network Pharmacology Method[J]. Acta Phys. -Chim. Sin. 2013, 29(07), 1415-1420. doi: 10.3866/PKU.WHXB201304171

References

(1) Fraser, C.; Donnelly, C. A.; Cauchemez, S.; Hanage,W. P.; VanKerkhove, M. D.; Hollingsworth, T. D.; Griffin, J.; Baggaley, R.F.; Jenkins, H. E.; Lyons, E. J.; Jombart, T.; Hinsley,W. R.;Grassly, N. C.; Balloux, F.; Ghani, A. C.; Ferguson, N. M.;Rambaut, A.; Pybus, O. G.; Lopez-Gatell, H.; Alpuche-Aranda,C. M.; Chapela, I. B.; Zavala, E. P.; Guevara, D. M.; Checchi,F.; Garcia, E.; Hugonnet, S.; Roth, C. Science 2009, 324 (5934),1557. doi: 10.1126/science.1176062
(2) Palese, P. Nat. Med. 2004, 10 (Suppl. 12), S82.
(3) Subbarao, K.; Joseph, T. Nat. Rev. Immunol. 2007, 7 (4), 267.doi: 10.1038/nri2054
(4) Kim, A.; Lee, J. Y.; Byun, S. J.; Kwon, M. H.; Kim, Y. S.Antiviral Res. 2012, 94 (2), 157. doi: 10.1016/j.antiviral.2012.03.007
(5) Tian, L.;Wang, Z.;Wu, H.;Wang, S.;Wang, Y.;Wang, Y.; Xu,J.;Wang, L.; Qi, F.; Fang,M.;Yu, D.; Fang, X.J. Ethnopharmacol. 2011, 137 (1), 534. doi: 10.1016/j.jep.2011.06.002
(6) Zu, M.; Zhou, D.; Gao, L.; Liu, A. L.; Du, G. H. Acta Pharmaceutica Sinica 2010, 45 (3), 408.
(7) Fang, Y. J. Pharmacol. Toxicol. Methods 2013, 67 (2), 69.doi: 10.1016/j.vascn.2013.01.004
(8) Wang, X.; Xu, X.; Tao,W.; Li, Y.;Wang, Y.;Yang, L. Evidence- Based Complementary and Alternative Medicine 2012, 2012,15.
(9) Campillos, M.; Kuhn, M.; Gavin, A. C.; Jensen, L. J.; Bork, P.Science 2008, 321 (5886), 263. doi: 10.1126/science.1158140
(10) Daminelli, S.; Haupt, V. J.; Reimann, M.; Schroeder, M.Integrative Biology 2012, 4 (7), 778. doi: 10.1039/c2ib00154c
(11) Mestres, J.; Gregori-Puigjane, E.; Valverde, S.; Sole, R. V. Mol. Biosyst. 2009, 5 (9), 1051. doi: 10.1039/b905821b
(12) Barlow, D. J.; Buriani, A.; Ehrman, T.; Bosisio, E.; Eberini, I.;Hylands, P. J. J. Ethnopharmacol. 2012, 140 (3), 526.doi: 10.1016/j.jep.2012.01.041
(13) Wu, D. H.; Xu, X. J. Acta Phys. -Chim. Sin. 2010, 25 (3), 446.[吴钉红, 徐筱杰. 物理化学学报, 2010, 25 (3), 446.]doi: 10.3866/PKU.WHXB20100218
(14) Gu, J. Y.; Yuan, G.; Zhu, Y. H.; Xu, X. J. Sci. China Ser. BChem.2009, 39 (11), 1415. [古江勇, 袁谷, 朱永宏, 徐筱杰. 中国科学B 辑: 化学, 2009, 39 (11), 1415.]
(15) Gertsch, J. Planta Med. 2011, 77 (11), 1086. doi: 10.1055/s-0030-1270904
(16) Tao,W.; Xu, X.;Wang, X.; Li, B.;Wang, Y.; Li, Y.; Yang, L.J. Ethnopharmacol. 2012, 145 (1), 1.
(17) Deshpande, N.; Addess, K. J.; Bluhm,W. F.; Merino-Ott, J. C.;Townsend-Merino,W.; Zhang, Q.; Knezevich, C.; Xie, L.; Chen,L.; Feng, Z.; Green, R. K.; Flippen-Anderson, J. L.;Westbrook,J.; Berman, H. M.; Bourne, P. E. Nucleic. Acids Res. 2005, 33 (Database issue), D233.
(18) Smoot, M. E.; Ono, K.; Ruscheinski, J.;Wang, P. L.; Ideker, T.Bioinformatics 2011, 27 (3), 431. doi: 10.1093/bioinformatics/btq675
(19) Liu, A. L.;Wang, H. D.; Lee, S. M.;Wang, Y. T.; Du, G. H.Bioorg. Med. Chem. 2008, 16 (15), 7141. doi: 10.1016/j.bmc.2008.06.049
(20) Lipinski, C. A.; Lombardo, F.; Dominy, B.W.; Feeney, P. J. Adv. Drug Deliv. Rev. 2001, 46 (1-3), 3. doi: 10.1016/S0169-409X(00)00129-0
(21) Meanwell, N. A. Chem. Res. Toxicol. 2011, 24 (9), 1420.doi: 10.1021/tx200211v
(22) Berger, S. I.; Iyengar, R. Bioinformatics 2009, 25 (19), 2466.doi: 10.1093/bioinformatics/btp465
(23) Hwang,W. C.; Zhang, A.; Ramanathan, M. Clin. Pharmacol. Ther. 2008, 84 (5), 563. doi: 10.1038/clpt.2008.129
(24) Zhu, M.; Gao, L.; Li, X.; Liu, Z.; Xu, C.; Yan, Y.;Walker, E.;Jiang,W.; Su, B.; Chen, X.; Lin, H. J. Drug Target. 2009, 17 (7), 524. doi: 10.1080/10611860903046610
(25) Hopkins, A. L. Nat. Chem. Biol. 2008, 4 (11), 682. doi: 10.1038/nchembio.118
(26) Pujol, A.; Mosca, R.; Farrés, J.; Aloy, P. Trends Pharmacol. Sci.2010, 31 (3), 115. doi: 10.1016/j.tips.2009.11.006
(27) Dai,W.; Chen, J. X.; Lu, P.; Gao, B. Y.; Chen, L.; Liu, X.; Song,L. J.; Xu, Y. H.; Chen, D.; Yang, P. Y.; Yang, J. H.; Huang, Q. L.Molecular BioSystems 2013, 9 (3), 375. doi: 10.1039/c2mb25372k

[1]	LÜ Wei, XUE Ying, MENG Qing-Wei. Classification Prediction of Inhibitors of H1N1 Neuraminidase by Machine Learning Methods [J]. Acta Phys. -Chim. Sin., 2013, 29(01): 217-223.
[2]	HU Yan-Bao, PENG Jing-Bo, GU Shuo, PEI Jian-Feng, ZOU Zhong-Mei. Molecular Docking in Xin-Ke-Shu Preparation's Multi-Target Effect on Coronary Heart Disease [J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1257-1264.
[3]	LIU Hai-Bo, CUI Wei, XU Jun, PENG Yong, ZHOU Jia-Ju, XIAO Pei-Gen. Molecular Simulations of the Inhibition of Active Components in Traditional ChineseMedicine on the Thromboxane A2 Receptor [J]. Acta Phys. -Chim. Sin., 2010, 26(09): 2549-2556.
[4]	LIU Hai-Bo, XU Jun, PENG Yong, ZHOU Jia-Ju, XIAO Pei-Gen. Targets of Danshen’s Active Components for Activating Blood Circulation Activities [J]. Acta Phys. -Chim. Sin., 2010, 26(01): 199-205.
[5]	MA Shi-Tang, LIU Pei-Xun, LONG Wei, YU Jie, XU Yang. Effects of the Multi-Target Capability of Xuebijing and Its Inflammatory Pharmacodynamic Material Basis [J]. Acta Phys. -Chim. Sin., 2009, 25(10): 2080-2086.
[6]	WU Ding-Hong, XU Xiao-Jie. Computational Simulation of Benefiting Qi and Activating Blood Mechanismof Traditional Chinese Medicine [J]. Acta Phys. -Chim. Sin., 2009, 25(03): 446-450.

Study on Mechanism of the Reduning Injection on the Influenza Virus Using Network Pharmacology Method

PDF

Like

Knowledge

Abstract

Supporting Info

Cite this article

share this article

References

Related Articles 6

Metrics

Recommended 0