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Volumn 78, Issue 4, 2011, Pages 679-688

Investigation into Potent Inflammation Inhibitors from Traditional Chinese Medicine

Author keywords

Anti inflammation; Docking; M PGES 1; Molecular dynamics; Quantitative structure activity relationship; Traditional Chinese medicine

Indexed keywords

ANTIINFLAMMATORY AGENT; AURANTIAMIDE ACETATE; CASTILLIFEROL; MF 63; SHANCIOL A; SHANCIOL B; UNCLASSIFIED DRUG;

EID: 80052619174     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01202.x     Document Type: Article
Times cited : (53)

References (42)
  • 1
    • 55249108502 scopus 로고    scopus 로고
    • The role of inflammation and allergy in acute coronary syndromes
    • Ozben B., Erdogan O. (2008) The role of inflammation and allergy in acute coronary syndromes. Inflamm Allergy Drug Targets;7:136-144.
    • (2008) Inflamm Allergy Drug Targets , vol.7 , pp. 136-144
    • Ozben, B.1    Erdogan, O.2
  • 2
    • 67650151005 scopus 로고    scopus 로고
    • Cancer-related inflammation, the seventh hallmark of cancer: links to genetic instability
    • Colotta F., Allavena P., Sica A., Garlanda C., Mantovani A. (2009) Cancer-related inflammation, the seventh hallmark of cancer: links to genetic instability. Carcinogenesis;30:1073-1081.
    • (2009) Carcinogenesis , vol.30 , pp. 1073-1081
    • Colotta, F.1    Allavena, P.2    Sica, A.3    Garlanda, C.4    Mantovani, A.5
  • 3
    • 34547598278 scopus 로고    scopus 로고
    • Anti-inflammatory drugs in the 21st century
    • Rainsford K.D. (2007) Anti-inflammatory drugs in the 21st century. Subcell Biochem;42:3-27.
    • (2007) Subcell Biochem , vol.42 , pp. 3-27
    • Rainsford, K.D.1
  • 4
    • 70450202964 scopus 로고    scopus 로고
    • Inhibitors of the microsomal prostaglandin E-2 synthase-1 as alternative to non steroidal anti-inflammatory Drugs (NSAIDs) - A Critical Review
    • Koeberle A., Werz O. (2009) Inhibitors of the microsomal prostaglandin E-2 synthase-1 as alternative to non steroidal anti-inflammatory Drugs (NSAIDs) - A Critical Review. Curr Med Chem;16:4274-4296.
    • (2009) Curr Med Chem , vol.16 , pp. 4274-4296
    • Koeberle, A.1    Werz, O.2
  • 5
    • 34648831038 scopus 로고    scopus 로고
    • Screening for new agonists against Alzheimer's disease
    • Zheng H., Wei D.Q., Zhang R., Wang C., Wei H. (2007) Screening for new agonists against Alzheimer's disease. Med Chem;3:488-493.
    • (2007) Med Chem , vol.3 , pp. 488-493
    • Zheng, H.1    Wei, D.Q.2    Zhang, R.3    Wang, C.4    Wei, H.5
  • 6
    • 0041848237 scopus 로고    scopus 로고
    • Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS
    • Chou K.C., Wei D.Q., Zhong W.Z. (2003) Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS. Biochem Biophys Res Commun;308:148-151.
    • (2003) Biochem Biophys Res Commun , vol.308 , pp. 148-151
    • Chou, K.C.1    Wei, D.Q.2    Zhong, W.Z.3
  • 7
    • 47349088078 scopus 로고    scopus 로고
    • Review: recent advances in QSAR and their applications in predicting the activities of chemical molecules, peptides and proteins for drug design
    • Du Q.S., Huang R.B., Chou K.C. (2008) Review: recent advances in QSAR and their applications in predicting the activities of chemical molecules, peptides and proteins for drug design. Curr Protein Pept Sci;9:248-259.
    • (2008) Curr Protein Pept Sci , vol.9 , pp. 248-259
    • Du, Q.S.1    Huang, R.B.2    Chou, K.C.3
  • 8
    • 58249089596 scopus 로고    scopus 로고
    • Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design
    • Du Q.S., Huang R.B., Wei Y.T., Pang Z.W., Du L.Q., Chou K.C. (2009) Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design. J Comput Chem;30:295-304.
    • (2009) J Comput Chem , vol.30 , pp. 295-304
    • Du, Q.S.1    Huang, R.B.2    Wei, Y.T.3    Pang, Z.W.4    Du, L.Q.5    Chou, K.C.6
  • 9
    • 78751481832 scopus 로고    scopus 로고
    • Docking and molecular dynamics study on the inhibitory activity of novel inhibitors on Epidermal Growth Factor Receptor (EGFR)
    • Liao Q.H., Gao Q.Z., Wei J., Chou K.C. (2011) Docking and molecular dynamics study on the inhibitory activity of novel inhibitors on Epidermal Growth Factor Receptor (EGFR). Med Chem;7:24-31.
    • (2011) Med Chem , vol.7 , pp. 24-31
    • Liao, Q.H.1    Gao, Q.Z.2    Wei, J.3    Chou, K.C.4
  • 10
    • 70450224653 scopus 로고    scopus 로고
    • Insight into the molecular switch mechanism of human Rab5a from molecular dynamics simulations
    • Wang J.F., Chou K.C. (2009) Insight into the molecular switch mechanism of human Rab5a from molecular dynamics simulations. Biochem Biophys Res Commun;390:608-612.
    • (2009) Biochem Biophys Res Commun , vol.390 , pp. 608-612
    • Wang, J.F.1    Chou, K.C.2
  • 11
    • 77954964960 scopus 로고    scopus 로고
    • Insights from studying the mutation-induced allostery in the M2 proton channel by molecular dynamics
    • Wang J.F., Chou K.C. (2010) Insights from studying the mutation-induced allostery in the M2 proton channel by molecular dynamics. Protein Eng Des Sel;23:663-666.
    • (2010) Protein Eng Des Sel , vol.23 , pp. 663-666
    • Wang, J.F.1    Chou, K.C.2
  • 12
    • 11144275172 scopus 로고    scopus 로고
    • Molecular therapeutic target for type-2 diabetes
    • Chou K.C. (2004) Molecular therapeutic target for type-2 diabetes. J Proteome Res;3:1284-1288.
    • (2004) J Proteome Res , vol.3 , pp. 1284-1288
    • Chou, K.C.1
  • 13
    • 33750554701 scopus 로고    scopus 로고
    • Review: progress in computational approach to drug development against SARS
    • Chou K.C., Wei D.Q., Du Q.S., Sirois S., Zhong W.Z. (2006) Review: progress in computational approach to drug development against SARS. Curr Med Chem;13:3263-3270.
    • (2006) Curr Med Chem , vol.13 , pp. 3263-3270
    • Chou, K.C.1    Wei, D.Q.2    Du, Q.S.3    Sirois, S.4    Zhong, W.Z.5
  • 14
    • 3242792729 scopus 로고    scopus 로고
    • Review: structural bioinformatics and its impact to biomedical science
    • Chou K.C. (2004) Review: structural bioinformatics and its impact to biomedical science. Curr Med Chem;11:2105-2134.
    • (2004) Curr Med Chem , vol.11 , pp. 2105-2134
    • Chou, K.C.1
  • 15
    • 61849131090 scopus 로고    scopus 로고
    • Pharmacoinformatics approach for mPGES-1 in anti-inflammation by 3D-QSAR pharmacophore mapping
    • Chen C.Y.C. (2009) Pharmacoinformatics approach for mPGES-1 in anti-inflammation by 3D-QSAR pharmacophore mapping. J Taiwan Inst Chem Eng;40:155-161.
    • (2009) J Taiwan Inst Chem Eng , vol.40 , pp. 155-161
    • Chen, C.Y.C.1
  • 16
    • 79251561193 scopus 로고    scopus 로고
    • TCM Database@Taiwan: the World's largest traditional Chinese medicine database for drug screening in silico
    • Chen C.Y.C. (2011) TCM Database@Taiwan: the World's largest traditional Chinese medicine database for drug screening in silico. PLoS ONE;6:e15939.
    • (2011) PLoS ONE , vol.6
    • Chen, C.Y.C.1
  • 18
    • 79959856882 scopus 로고    scopus 로고
    • Drug design for mPGES-1 from traditional Chinese medicine database: a screening, docking, QSAR, molecular dynamics, and pharmacophore mapping study
    • Chang T.T., Sun M.F., Wong Y.H., Yang S.C., Chen K.C., Chen H.Y., Tsai F.J., Chen C.Y.C. (2011) Drug design for mPGES-1 from traditional Chinese medicine database: a screening, docking, QSAR, molecular dynamics, and pharmacophore mapping study. J Taiwan Inst Chem Eng;42:580-591.
    • (2011) J Taiwan Inst Chem Eng , vol.42 , pp. 580-591
    • Chang, T.T.1    Sun, M.F.2    Wong, Y.H.3    Yang, S.C.4    Chen, K.C.5    Chen, H.Y.6    Tsai, F.J.7    Chen, C.Y.C.8
  • 19
    • 79953746295 scopus 로고    scopus 로고
    • Stroke prevention by traditional Chinese medicine? A genetic algorithm, support vector machine and molecular dynamics approach
    • Chen K.C., Chen C.Y.C. (2011) Stroke prevention by traditional Chinese medicine? A genetic algorithm, support vector machine and molecular dynamics approach. Soft Matter;7:4001-4008.
    • (2011) Soft Matter , vol.7 , pp. 4001-4008
    • Chen, K.C.1    Chen, C.Y.C.2
  • 21
    • 77957303710 scopus 로고    scopus 로고
    • A novel strategy for designing the selective PPAR agonist by the "Sum of Activity" model
    • Huang H.J., Lee K.J., Yu H.W., Chen H.Y., Tsai F.J., Chen C.Y.C. (2010) A novel strategy for designing the selective PPAR agonist by the "Sum of Activity" model. J Biomol Struct Dyn;28:187-200.
    • (2010) J Biomol Struct Dyn , vol.28 , pp. 187-200
    • Huang, H.J.1    Lee, K.J.2    Yu, H.W.3    Chen, H.Y.4    Tsai, F.J.5    Chen, C.Y.C.6
  • 23
    • 77955772552 scopus 로고    scopus 로고
    • Insights into designing the dual-targeted HER2/HSP90 inhibitors
    • Chen C.Y., Chen C.Y.C. (2010) Insights into designing the dual-targeted HER2/HSP90 inhibitors. J Biomol Struct Dyn;29:21-31.
    • (2010) J Biomol Struct Dyn , vol.29 , pp. 21-31
    • Chen, C.Y.1    Chen, C.Y.C.2
  • 24
    • 76749139075 scopus 로고    scopus 로고
    • Virtual screening and drug design for PDE-5 receptor from traditional Chinese Medicine database
    • Chen C.Y.C. (2010) Virtual screening and drug design for PDE-5 receptor from traditional Chinese Medicine database. J Biomol Struct Dyn;27:627-640.
    • (2010) J Biomol Struct Dyn , vol.27 , pp. 627-640
    • Chen, C.Y.C.1
  • 25
    • 77249097809 scopus 로고    scopus 로고
    • Bioinformatics, chemoinformatics, and pharmainformatics analysis of HER2/HSP90 dual-targeted inhibitors
    • Chen C.Y.C. (2010) Bioinformatics, chemoinformatics, and pharmainformatics analysis of HER2/HSP90 dual-targeted inhibitors. J Chinese Inst Chem Engs;41:143-149.
    • (2010) J Chinese Inst Chem Engs , vol.41 , pp. 143-149
    • Chen, C.Y.C.1
  • 26
    • 0001383234 scopus 로고    scopus 로고
    • HypoGen: an automated system for generating predictive 3D pharmacophore models
    • In: Guner O.F., editor. La Jolla, CA, USA: International University Line
    • Li H., Sutter J., Hoffmann R. (2000) HypoGen: an automated system for generating predictive 3D pharmacophore models. In: Guner O.F., editor. HypoGen: An automated System for Generating Predictive 3D Pharmacophore Models. La Jolla, CA, USA: International University Line.
    • (2000) HypoGen: An automated System for Generating Predictive 3D Pharmacophore Models
    • Li, H.1    Sutter, J.2    Hoffmann, R.3
  • 27
    • 35848954713 scopus 로고    scopus 로고
    • Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors
    • Cote B., Boulet L., Brideau C., Claveau D., Ethier D., Frenette R., Gagnon M. et al. (2007) Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors. Bioorg Med Chem Lett;17:6816-6820.
    • (2007) Bioorg Med Chem Lett , vol.17 , pp. 6816-6820
    • Cote, B.1    Boulet, L.2    Brideau, C.3    Claveau, D.4    Ethier, D.5    Frenette, R.6    Gagnon, M.7
  • 28
    • 70349226756 scopus 로고    scopus 로고
    • Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors
    • Giroux A., Boulet L., Brideau C., Chau A., Claveau D., Cote B., Ethier D. et al. (2009) Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors. Bioorg Med Chem Lett;19:5837-5841.
    • (2009) Bioorg Med Chem Lett , vol.19 , pp. 5837-5841
    • Giroux, A.1    Boulet, L.2    Brideau, C.3    Chau, A.4    Claveau, D.5    Cote, B.6    Ethier, D.7
  • 31
    • 58149097590 scopus 로고    scopus 로고
    • Pirinixic acid derivatives as novel dual inhibitors of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase
    • Koeberle A., Zettl H., Greiner C., Wurglics M., Schubert-Zsilavecz M., Werz O. (2008) Pirinixic acid derivatives as novel dual inhibitors of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase. J Med Chem;51:8068-8076.
    • (2008) J Med Chem , vol.51 , pp. 8068-8076
    • Koeberle, A.1    Zettl, H.2    Greiner, C.3    Wurglics, M.4    Schubert-Zsilavecz, M.5    Werz, O.6
  • 32
    • 76649142022 scopus 로고    scopus 로고
    • Selective inducible microsomal prostaglandin E(2) synthase-1 (mPGES-1) inhibitors derived from an oxicam template
    • Wang J., Limburg D., Carter J., Mbalaviele G., Gierse J., Vazquez M. (2010) Selective inducible microsomal prostaglandin E(2) synthase-1 (mPGES-1) inhibitors derived from an oxicam template. Bioorg Med Chem Lett;20:1604-1609.
    • (2010) Bioorg Med Chem Lett , vol.20 , pp. 1604-1609
    • Wang, J.1    Limburg, D.2    Carter, J.3    Mbalaviele, G.4    Gierse, J.5    Vazquez, M.6
  • 33
    • 29144499905 scopus 로고    scopus 로고
    • Working set selection using second order information for training support vector machines
    • Fan R.E., Chen P.H., Lin C.J. (2005) Working set selection using second order information for training support vector machines. J Mach Learn Res;6:1889-1918.
    • (2005) J Mach Learn Res , vol.6 , pp. 1889-1918
    • Fan, R.E.1    Chen, P.H.2    Lin, C.J.3
  • 34
    • 0344121835 scopus 로고    scopus 로고
    • Comparison of MLR, PLS and GA-MLR in QSAR analysis
    • Saxena A.K., Prathipati P. (2003) Comparison of MLR, PLS and GA-MLR in QSAR analysis. SAR QSAR Environ Res;14:433-445.
    • (2003) SAR QSAR Environ Res , vol.14 , pp. 433-445
    • Saxena, A.K.1    Prathipati, P.2
  • 35
    • 0028467707 scopus 로고
    • Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships
    • Rogers D., Hopfinger A.J. (1994) Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships. J Chem Inf Comput Sci;34:854.
    • (1994) J Chem Inf Comput Sci , vol.34 , pp. 854
    • Rogers, D.1    Hopfinger, A.J.2
  • 38
    • 0037212102 scopus 로고    scopus 로고
    • LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites
    • Venkatachalam C.M., Jiang X., Oldfield T., Waldman M. (2003) LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites. J Mol Graph Model;21:289-307.
    • (2003) J Mol Graph Model , vol.21 , pp. 289-307
    • Venkatachalam, C.M.1    Jiang, X.2    Oldfield, T.3    Waldman, M.4
  • 39
    • 53849098967 scopus 로고    scopus 로고
    • MF63 [2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)-isophthalonitrile], a selective microsomal prostaglandin E synthase-1 inhibitor, relieves pyresis and pain in preclinical models of inflammation
    • Xu D., Rowland S.E., Clark P., Giroux A., Cote B., Guiral S., Salem M., Ducharme Y., Friesen R.W., Méthot N., Mancini J., Audoly L., Riendeau D. (2008) MF63 [2-(6-chloro-1H-phenanthro[9, 10-d]imidazol-2-yl)-isophthalonitrile], a selective microsomal prostaglandin E synthase-1 inhibitor, relieves pyresis and pain in preclinical models of inflammation. J Pharm Exp Ther;326:754-763.
    • (2008) J Pharm Exp Ther , vol.326 , pp. 754-763
    • Xu, D.1    Rowland, S.E.2    Clark, P.3    Giroux, A.4    Cote, B.5    Guiral, S.6    Salem, M.7    Ducharme, Y.8    Friesen, R.W.9    Méthot, N.10    Mancini, J.11    Audoly, L.12    Riendeau, D.13
  • 40
    • 80052619254 scopus 로고    scopus 로고
    • Discovery studio modeling environment
    • Accelerys Software Inc.. San Diego: Accelerys Software Inc
    • Accelerys Software Inc. (2009) Discovery studio modeling environment. Discovery Studio Modeling Environment. San Diego: Accelerys Software Inc.
    • (2009) Discovery Studio Modeling Environment
  • 41
    • 0004280908 scopus 로고
    • Academic Press: New York and London
    • Fletcher R. (1969) Optimization. Academic Press: New York and London.
    • (1969) Optimization
    • Fletcher, R.1
  • 42
    • 0000615669 scopus 로고
    • Function minimization by conjugate gradients
    • Fletcher R., Reeves C.M. (1964) Function minimization by conjugate gradients. Comp J;7:149-154.
    • (1964) Comp J , vol.7 , pp. 149-154
    • Fletcher, R.1    Reeves, C.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.