A strategy for screening active lead compounds and functional compound combinations from herbal medicines based on pharmacophore filtering and knockout/knockin chromatography

Journal of Chromatography A

Volumn 1456, Issue , 2016, Pages 176-186

  Song, Hui Peng ^a   Wu, Si Qi ^a   Qi, Lian Wen ^a   Long, Fang ^a   Jiang, Li Feng ^a   Liu, Ke ^a   Zeng, Hao ^a   Xu, Zhi Meng ^a   Li, Ping ^a   Yang, Hua ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

Herbal medicine; High throughput screening; Knockout knockin chromatography; Lead compound; QTOF mass; Quality control

Indexed keywords

CHROMATOGRAPHY; DIAGNOSIS; DRUG PRODUCTS; FREE RADICALS; LEAD COMPOUNDS; MEDICINE; PHARMACODYNAMICS; PLANTS (BOTANY); QUALITY CONTROL;

FREE RADICAL SCAVENGING ACTIVITY; FUNCTIONAL COMPOUNDS; HERBAL MEDICINES; HIGH THROUGHPUT SCREENING; MARKER COMPOUNDS; METHOD VALIDATIONS; POTENTIAL MECHANISM; QTOF MASS;

PLANT EXTRACTS;

DAN QI; HERBACEOUS AGENT; PLANT MEDICINAL PRODUCT; UNCLASSIFIED DRUG; PLANT EXTRACT; SCAVENGER;

ARTICLE; CHROMATOGRAPHY; CONTROLLED STUDY; DPPH RADICAL SCAVENGING ASSAY; DRUG IDENTIFICATION; DRUG SCREENING; DRUG STRUCTURE; HIGH THROUGHPUT SCREENING; HYDROXYL RADICAL SCAVENGING ASSAY; IC50; KNOCKOUT KNOCKIN CHROMATOGRAPHY; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL; QUALITY CONTROL; CHEMISTRY; DRUG DEVELOPMENT; HERBAL MEDICINE; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; MEDICINAL PLANT; PHYTOTHERAPY; PROCEDURES; REPRODUCIBILITY;

CHROMATOGRAPHY; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; DRUG DISCOVERY; FREE RADICAL SCAVENGERS; HERBAL MEDICINE; HIGH-THROUGHPUT SCREENING ASSAYS; PHYTOTHERAPY; PLANT EXTRACTS; PLANT PREPARATIONS; PLANTS, MEDICINAL; QUALITY CONTROL; REPRODUCIBILITY OF RESULTS;

EID: 84979547111     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2016.06.009     Document Type: Article

References (36)

1. [1] Harvey, A.L., Natural products as a screening resource. Curr. Opin. Chem. Biol. 11 (2007), 480–484.
2. [2] Patwardhan, B., Vaidya, A.D.B., Chorghade, M., Ayurveda and natural products drug discovery. Curr. Sci. 86 (2004), 789–799.
3. [3] Harvey, A.L., Natural products in drug discovery. Drug Discov. Today 13 (2008), 894–901.
4. [4] Koehn, F.E., Carter, G.T., The evolving role of natural products in drug discovery. Nat. Rev. Drug Discov. 4 (2005), 206–220.
5. [5] Newman, D.J., Cragg, G.M., Natural products as sources of new drugs over the 30 years from 1981 to 2010. J. Nat. Prod. 75 (2012), 311–335.
6. [6] Li, J.W.H., Vederas, J.C., Drug discovery and natural products: end of an era or an endless frontier. Science 325 (2009), 161–165.
7. [7] Harvey, A., Strategies for discovering drugs from previously unexplored natural products. Drug Discov. Today 5 (2000), 294–300.
8. [8] Helmstädter, A., Staiger, C., Traditional use of medicinal agents: a valid source of evidence. Drug Discov. Today 19 (2014), 4–7.
9. [9] Vagner, J., Qu, H., Hruby, V.J., Peptidomimetics, a synthetic tool of drug discovery. Curr. Opin. Chem. Biol. 12 (2008), 292–296.
10. [10] Malamas, M., Marselos, M., The tradition of medicinal plants in Zagori, Epirus (northwestern Greece). J. Ethnopharmacol. 37 (1992), 197–203.
11. [11] Georgiev, M.I., Natural products utilization. Phytochem. Rev. 13 (2014), 339–341.
12. [12] Coghlan, M.L., Haile, J., Houston, J., Murray, D.C., White, N.E., Moolhuijzen, P., Bellgard, M.I., Bunce, M., Deep sequencing of plant and animal DNA contained within traditional Chinese medicines reveals legality issues and health safety concerns. PLoS Genet. 8 (2012), 436–446.
13. [13] Koehn, F.E., Carter, G.T., The evolving role of natural products in drug discovery. Nat. Rev. Drug Discov. 4 (2005), 206–220.
14. [14] Zhou, J.L., Qi, L.W., Li, P., Herbal medicine analysis by liquid chromatography/time-of-flight mass spectrometry. J. Chromatogr. A 1216 (2009), 7582–7594.
15. [15] Song, H.P., Zhang, H., Fu, Y., Mo, H.Y., Zhang, M., Chen, J., Li, P., Screening for selective inhibitors of xanthine oxidase from Flos Chrysanthemum using ultrafiltration LC–MS combined with enzyme channel blocking. J. Chromatogr. B: Anal. Technol. Biomed. Life Sci. 961 (2014), 56–61.
16. [16] Lv, Y., Liu, X., Yan, S., Liang, X., Yang, Y., Dai, W., Zhang, W., Metabolomic study of myocardial ischemia and intervention effects of Compound Danshen Tablets in rats using ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry. J. Pharm. Biomed. Anal. 52 (2010), 129–135.
17. [17] Cai, H., Harrison, D.G., Endothelial dysfunction in cardiovascular diseases: the role of oxidant stress. Circ. Res. 87 (2000), 840–844.
18. [18] Song, H.P., Chen, J., Hong, J.Y., Hao, H., Qi, L.W., Lu, J., Fu, Y., Wu, B., Yang, H., Li, P., A strategy for screening of high-quality enzyme inhibitors from herbal medicines based on ultrafiltration LC–MS and in silico molecular docking. Chem. Commun. 51 (2015), 1494–1497.
19. [19] Qi, L.W., Wang, H.Y., Zhang, H., Wang, C.Z., Li, P., Yuan, C.S., Diagnostic ion filtering to characterize ginseng saponins by rapid liquid chromatography with time-of-flight mass spectrometry. J. Chromatogr. A 1230 (2012), 93–99.
20. [20] Kiss, A.K., Filipek, A., Czerwinska, M., Naruszewicz, M., Oenothera paradoxa defatted seeds extract and its bioactive component penta-O-galloyl-β-D-glucose decreased production of reactive oxygen species and inhibited release of leukotriene B4 interleukin-8, elastase, and myeloperoxidase in human neutrophils. J. Agric. Food Chem. 58 (2010), 9960–9966.
21. [21] Choi, C.W., Kim, S.C., Hwang, S.S., Choi, B.K., Ahn, H.J., Lee, M.Y., Park, S.H., Kimm, S.K., Antioxidant activity free radical scavenging capacity between Korean medicinal plants flavonoids by assay-guided comparison. Plant Sci. 163 (2002), 1161–1168.
22. [22] Abbasi, A.M., Shah, M.H., Li, T., Fu, X., Guo, X., Liu, R.H., Ethnomedicinal values, phenolic contents and antioxidant properties of wild culinary vegetables. J. Ethnopharmacol. 162 (2015), 333–345.
23. [23] Aoshima, H., Tsunoue, H., Koda, H., Kiso, Y., Aging of whiskey increases 1,1-diphenyl-2-picrylhydrazyl radical scavenging activity. J. Agric. Food Chem. 52 (2004), 5240–5244.
24. [24] Liu, F., Ooi, V.E.C., Chang, S.T., Free radical scavenging activities of mushroom polysaccharide extracts. Life Sci. 60 (1997), 763–771.
25. [25] Yamashita, T., Sato, T., Sakamoto, K., Ishii, H., Yamamoto, J., The free-radical scavenger edaravone accelerates thrombolysis with alteplase in an experimental thrombosis model. Thromb. Res. 135 (2015), 1209–1213.
26. [26] Morita, M., Naito, Y., Yoshikawa, T., Niki, E., Assessment of radical scavenging capacity of antioxidants contained in foods and beverages in plasma solution. Food Funct. 6 (2015), 1591–1599.
27. [27] Cheung, L.M., Cheung, P.C.K., Ooi, V.E.C., Antioxidant activity and total phenolics of edible mushroom extracts. Food Chem. 81 (2003), 249–255.
28. [28] Raudonis, R., Raudone, L., Jakstas, V., Janulis, V., Comparative evaluation of post-column free radical scavenging and ferric reducing antioxidant power assays for screening of antioxidants in strawberries. J. Chromatogr. A 1233 (2012), 8–15.
29. [29] Lu, J., Li, C., Chai, Y.F., Yang, D.Y., Sun, C.R., The antioxidant effect of imine resveratrol analogues. Bioorg. Med. Chem. Lett. 22 (2012), 5744–5747.
30. [30] Schuster, D., Maurer, E.M., Laggner, C., Nashev, L.G., Wilckens, T., Langer, T., Odermatt, A., The discovery of new 11β-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening. J. Med. Chem. 49 (2006), 3454–3466.
31. [31] Lu, S.H., Wu, J.W., Liu, H.L., Zhao, J.H., Liu, K.T., Chuang, C.K., Lin, H.Y., Tsai, W.B., Ho, Y., The discovery of potential acetylcholinesterase inhibitors: a combination of pharmacophore modeling, virtual screening, and molecular docking studies. J. Biomed. Sci., 18, 2011, 8.
32. [32] Hao, H., Cui, N., Wang, G., Xiang, B., Liang, Y., Xu, X., Zhang, H., Yang, J., Zheng, C., Wu, L., Gong, P., Wang, W., Global detection and identification of nontarget components from herbal preparations by liquid chromatography hybrid ion trap time-of-flight mass spectrometry and a strategy. Anal. Chem. 80 (2008), 8187–8194.
33. [33] Williams, R.L., Adams, W.P., Poochikian, G., Hauck, W.W., Content uniformity and dose uniformity: current approaches, statistical analyses, and presentation of an alternative approach, with special reference to oral inhalation and nasal drug products. Pharm. Res. 19 (2002), 359–366.
34. [34] Mistri, H.N., Jangid, A.G., Sanyal, M., Shrivastav, P., Electrospray ionization LC-MS/MS validated method to quantify griseofulvin in human plasma and its application to bioequivalence study. J. Chromatogr. B 850 (2007), 318–326.
35. [35] Li, Y.J., Chen, J., Li, Y., Li, Q., Zheng, Y.F., Fu, Y., Li, P., Screening and characterization of natural antioxidants in four Glycyrrhiza species by liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry. J. Chromatogr. A 1218 (2011), 8181–8191.
36. [36] Ding, X.P., Wang, X.T., Chen, L.L., Guo, Q., Wang, H., Qi, J., Yu, B.Y., On-line high-performance liquid chromatography-diode array detection-electrospray ionization-mass spectrometry-chemiluminescence assay of radical scavengers in Epimedium. J. Chromatogr. A 1218 (2011), 1227–1235.