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Volumn 12, Issue 9, 2012, Pages 1088-1097

Rational drug design for identifying novel multi-target inhibitors for hepatocellular carcinoma

Author keywords

Hepatocellular carcinoma; In silico ADMET; Pharmacophore based virtual screening; Rational multi targeting drug design; Sorafenib

Indexed keywords

AXITINIB; B RAF KINASE; BAX401; CEDIRANIB; GW78603; IMATINIB; LINIFANIB; MITOGEN ACTIVATED PROTEIN KINASE P38; MOTESANIB; PAZOPANIB; PROTEIN TYROSINE KINASE INHIBITOR; RECETIN; SORAFENIB; SUNITINIB; UNCLASSIFIED DRUG; VANDETANIB; VASCULOTROPIN RECEPTOR 2; VATALANIB;

EID: 84872252371     PISSN: 18715206     EISSN: 18755992     Source Type: Journal    
DOI: 10.2174/187152012803529718     Document Type: Article
Times cited : (10)

References (39)
  • 1
    • 77954218447 scopus 로고    scopus 로고
    • Molecularly targeted therapy in hepatocellular carcinoma
    • Huynh, H. Molecularly targeted therapy in hepatocellular carcinoma. Biochem. Pharmacol., 2010, 80, (5), 550-560.
    • (2010) Biochem. Pharmacol. , vol.80 , Issue.5 , pp. 550-560
    • Huynh, H.1
  • 2
    • 0035324932 scopus 로고    scopus 로고
    • Comparison of the NCI Open Database with Seven Large Chemical Structural Databases
    • Voigt, J. H.; Bienfait, B.; Wang, S.; Nicklaus, M. C. Comparison of the NCI Open Database with Seven Large Chemical Structural Databases. J. Chem. Inf. Model., 2001, 41, (3), 702-712.
    • (2001) J. Chem. Inf. Model. , vol.41 , Issue.3 , pp. 702-712
    • Voigt, J.H.1    Bienfait, B.2    Wang, S.3    Nicklaus, M.C.4
  • 3
    • 13844312649 scopus 로고    scopus 로고
    • ZINC--a free database of commercially available compounds for virtual screening
    • Irwin, J. J.; Shoichet, B. K. ZINC--a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model., 2004, 45, (1), 177-82.
    • (2004) J. Chem. Inf. Model. , vol.45 , Issue.1 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 4
    • 0032671931 scopus 로고    scopus 로고
    • Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
    • Butina, D. Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets. J. Chem. Inf. Model., 1999, 39 (4), 747-750.
    • (1999) J. Chem. Inf. Model. , vol.39 , Issue.4 , pp. 747-750
    • Butina, D.1
  • 6
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. a; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. drug delivery rev., 2001, 46 (1-3), 3-26.
    • (2001) Adv. drug delivery rev. , vol.46 , Issue.1-3 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 7
    • 74449086090 scopus 로고    scopus 로고
    • Effective segmentation and classification for HCC biopsy images
    • Huang, P.-W.; Lai, Y.-H. Effective segmentation and classification for HCC biopsy images. Pattern Recogn., 2010, 43 (4), 1550-1563.
    • (2010) Pattern Recogn. , vol.43 , Issue.4 , pp. 1550-1563
    • Huang, P.-W.1    Lai, Y.-H.2
  • 9
    • 0033545541 scopus 로고    scopus 로고
    • Rising incidence of hepatocellular carcinoma in the United States
    • El-Serag HB, M. A. Rising incidence of hepatocellular carcinoma in the United States. N. Engl. J. Med., 1999, 340 (10), 745-750.
    • (1999) N. Engl. J. Med. , vol.340 , Issue.10 , pp. 745-750
    • El-Serag, H.B.M.A.1
  • 10
    • 77950688983 scopus 로고    scopus 로고
    • Anti-angiogenic tyrosine kinase inhibitors: What is their mechanism of action?
    • Gotink, K. J.; Verheul, H. M. W. Anti-angiogenic tyrosine kinase inhibitors: what is their mechanism of action? Angiogenesis, 2010, 13 (1), 1-14.
    • (2010) Angiogenesis , vol.13 , Issue.1 , pp. 1-14
    • Gotink, K.J.1    Verheul, H.M.W.2
  • 11
    • 33846899405 scopus 로고    scopus 로고
    • Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors
    • Liao, J. J.-L. Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors. J. med. chem., 2007, 50 (3), 409-424.
    • (2007) J. med. chem. , vol.50 , Issue.3 , pp. 409-424
    • Liao, J.J.-L.1
  • 12
    • 0031969264 scopus 로고    scopus 로고
    • Angiogenesis and tumor metastasis
    • Zetter, B. R. Angiogenesis and tumor metastasis. Annu. Rev. Med., 1998, 49(1), 407-424.
    • (1998) Annu. Rev. Med. , vol.49 , Issue.1 , pp. 407-424
    • Zetter, B.R.1
  • 13
    • 77953286121 scopus 로고    scopus 로고
    • In silico approaches to multi-target drug discovery: Computer aided multi-target drug design, multi-target virtual screening
    • Ma, X. H.; Shi, Z.; Tan, C.; Jiang, Y.; Go, M. L.; Low, B. C.; Chen, Y. Z. In silico approaches to multi-target drug discovery: computer aided multi-target drug design, multi-target virtual screening. Pharmaceut. Res., 2010, 27 (5), 739-749.
    • (2010) Pharmaceut. Res. , vol.27 , Issue.5 , pp. 739-749
    • Ma, X.H.1    Shi, Z.2    Tan, C.3    Jiang, Y.4    Go, M.L.5    Low, B.C.6    Chen, Y.Z.7
  • 14
    • 58149380196 scopus 로고    scopus 로고
    • Recent advances in the development of multi-kinase inhibitors
    • Krug M, Hilgeroth A. Recent advances in the development of multi-kinase inhibitors. Mini Rev. Med. Chem., 2008, 8 (2), 1312-1327.
    • (2008) Mini Rev. Med. Chem. , vol.8 , Issue.2 , pp. 1312-1327
    • Krug, M.1    Hilgeroth, A.2
  • 15
    • 34548843943 scopus 로고    scopus 로고
    • A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development
    • Gill AL, Verdonk M, Boyle RG, Taylor R. A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr. Top Med. Chem., 2007, 7 (3) 1408-1422.
    • (2007) Curr. Top Med. Chem. , vol.7 , Issue.3 , pp. 1408-1422
    • Gill, A.L.1    Verdonk, M.2    Boyle, R.G.3    Taylor, R.4
  • 16
    • 67649995940 scopus 로고    scopus 로고
    • Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors
    • Simard, J. R.; Getlik, M.; Grütter, C.; Pawar, V.; Wulfert, S.; Rabiller, M.; Rauh, D. Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J. Am. Chem. Soc.,2009, 131(137), 13286-13296.
    • (2009) J. Am. Chem. Soc. , vol.131 , Issue.137 , pp. 13286-13296
    • Simard, J.R.1    Getlik, M.2    Grütter, C.3    Pawar, V.4    Wulfert, S.5    Rabiller, M.6    Rauh, D.7
  • 18
    • 84889765254 scopus 로고    scopus 로고
    • Li, R.; Stafford, J.A.; John Wiley & Sons, Inc.: Hoboken, NJ, USA
    • Kinase Inhibitor Drugs; Li, R.; Stafford, J. A.; John Wiley & Sons, Inc.: Hoboken, NJ, USA, 2009, pp. 113-130.
    • (2009) Kinase Inhibitor Drugs , pp. 113-130
  • 19
    • 0004313709 scopus 로고    scopus 로고
    • 10, Chemical Computing Group Inc., Quebec, Canada, 2008
    • Molecular Operating Environment (MOE) 2008.10, Chemical Computing Group Inc., Quebec, Canada, 2008.
    • (2008) Molecular Operating Environment (MOE)
  • 22
    • 84889765254 scopus 로고    scopus 로고
    • Li, R.; Stafford, J.A.; John Wiley & Sons, Inc.: Hoboken, NJ, USA
    • Kinase Inhibitor Drugs; Li, R.; Stafford, J. A.; John Wiley & Sons, Inc.: Hoboken, NJ, USA, 2009, pp. 79-112.
    • (2009) Kinase Inhibitor Drugs , pp. 79-112
  • 23
    • 0030031766 scopus 로고    scopus 로고
    • Inhibition of the Abl protein-tyrosine kinase in vitro and in vivo by a 2-phenylaminopyrimidine derivative
    • Buchdunger, E.; Zimmermann, J.; Mett, H.; et al. Inhibition of the Abl protein-tyrosine kinase in vitro and in vivo by a 2-phenylaminopyrimidine derivative. Cancer Res., 1996, 56 (1), 100-104.
    • (1996) Cancer Res. , vol.56 , Issue.1 , pp. 100-104
    • Buchdunger, E.1    Zimmermann, J.2    Mett, H.3
  • 24
    • 0033816156 scopus 로고    scopus 로고
    • Abl protein-tyrosine kinase inhibitor STI571 inhibits in vitro signal transduction mediated by c-kit and platelet-derived growth factor receptors
    • Buchdunger, E.; Cioffi, CL.; Law, N.; et al. Abl protein-tyrosine kinase inhibitor STI571 inhibits in vitro signal transduction mediated by c-kit and platelet-derived growth factor receptors. J. Pharmacol Exp. Ther., 2000, 295 (1), 139-145.
    • (2000) J. Pharmacol Exp. Ther. , vol.295 , Issue.1 , pp. 139-145
    • Buchdunger, E.1    Cioffi, C.L.2    Law, N.3
  • 26
    • 57349179851 scopus 로고    scopus 로고
    • Pazopanib; a VEGF receptor tyrosine kinase inhibitor for cancer therapy
    • Sloan, B.; Scheinfeld, NS. Pazopanib; a VEGF receptor tyrosine kinase inhibitor for cancer therapy. Curr. Opin. Investig. Drugs., 2008, 9, (12), 1324-1335.
    • (2008) Curr. Opin. Investig. Drugs. , vol.9 , Issue.12 , pp. 1324-1335
    • Sloan, B.1    Scheinfeld, N.S.2
  • 28
    • 33947182049 scopus 로고    scopus 로고
    • Vatalanib: The clinical development of a tyrosine kinase inhibitor of angiogenesis in solid tumors
    • Scott, EN.; Meinhardt, G.; Jacques, C.; Laurent, D.; Thomas, AL. Vatalanib: the clinical development of a tyrosine kinase inhibitor of angiogenesis in solid tumors. Expert Opin. Investig. Drug., 2007, 16 (3), 367-379.
    • (2007) Expert Opin. Investig. Drug. , vol.16 , Issue.3 , pp. 367-379
    • Scott, E.N.1    Meinhardt, G.2    Jacques, C.3    Laurent, D.4    Thomas, A.L.5
  • 30
    • 34548316976 scopus 로고    scopus 로고
    • Molecular basis for sunitinib efficacy and future clinical development
    • Faivre, S.; Demetri, G.; Sargent, W.; Raymond, E. Molecular basis for sunitinib efficacy and future clinical development. Nat. Rev. Drug Discov., 2007, 6(9), 734-745.
    • (2007) Nat. Rev. Drug Discov. , vol.6 , Issue.9 , pp. 734-745
    • Faivre, S.1    Demetri, G.2    Sargent, W.3    Raymond, E.4
  • 31
    • 67651242368 scopus 로고    scopus 로고
    • Current status of cediranib: The rapid development of a novel anti-angiogenic therapy
    • Lindsay CR.; MacPherson IR.; Cassidy J. Current status of cediranib: the rapid development of a novel anti-angiogenic therapy. Future Oncol., 2009, 5(4), 421-432.
    • (2009) Future Oncol. , vol.5 , Issue.4 , pp. 421-432
    • Lindsay, C.R.1    McPherson, I.R.2    Cassidy, J.3
  • 34
    • 0037386774 scopus 로고    scopus 로고
    • Antitumor effects of ZD6474, a small molecule vascular endothelial growth factor receptor tyrosine kinase inhibitor, with additional activity against epidermal growth factor receptor tyrosine kinase
    • Ciardiello, F.; Caputo, R.; Damiano, V.; Caputo, R.; Troiani, T.; Vitagliano, D.; Carlomagno, F.; Veneziani, BM.; Fontanini, G.; Bianco, AR.; Tortora, G. Antitumor effects of ZD6474, a small molecule vascular endothelial growth factor receptor tyrosine kinase inhibitor, with additional activity against epidermal growth factor receptor tyrosine kinase. Clin. Cancer Res., 2003, 9(4), 1546-1556.
    • (2003) Clin. Cancer Res. , vol.9 , Issue.4 , pp. 1546-1556
    • Ciardiello, F.1    Caputo, R.2    Damiano, V.3    Caputo, R.4    Troiani, T.5    Vitagliano, D.6    Carlomagno, F.7    Veneziani, B.M.8    Fontanini, G.9    Bianco, A.R.10    Tortora, G.11
  • 35
    • 72049094773 scopus 로고    scopus 로고
    • Application of a novel [3+2] cycloaddition reaction to prepare substituted imidazoles and their use in the design of potent DFGout allosteric B-Raf inhibitors
    • Dietrich, J.; Gokhale, V.; Wang, X.; Hurley, L. H.; Flynn, G. A. Application of a novel [3+2] cycloaddition reaction to prepare substituted imidazoles and their use in the design of potent DFGout allosteric B-Raf inhibitors. Bioorg. Med. Chem., 2010, 18 (1), 292-304.
    • (2010) Bioorg. Med. Chem. , vol.18 , Issue.1 , pp. 292-304
    • Dietrich, J.1    Gokhale, V.2    Wang, X.3    Hurley, L.H.4    Flynn, G.A.5
  • 36
    • 61949280507 scopus 로고    scopus 로고
    • Inductive transfer of knowledge: Application of multitask learning and feature net approaches to model tissue-air partition coefficients
    • Varnek, A.; Gaudin, C.; Marcou, G.; Baskin, I.; Pandey, A. K.; Tetko, I. V. Inductive transfer of knowledge: application of multitask learning and feature net approaches to model tissue-air partition coefficients. J. Chem. Inf. Model., 2009, 49(1), 133-44.
    • (2009) J. Chem. Inf. Model. , vol.49 , Issue.1 , pp. 133-144
    • Varnek, A.1    Gaudin, C.2    Marcou, G.3    Baskin, I.4    Pandey, A.K.5    Tetko, I.V.6
  • 37
    • 52949113498 scopus 로고    scopus 로고
    • PK/DB: Database for pharmacokinetic properties and predictive in silico ADMET models
    • Moda, T. L.; Torres, L. G.; Carrara, A. E.; Andricopulo, A. D. PK/DB: database for pharmacokinetic properties and predictive in silico ADMET models. Bioinformatics (Oxford, England), 2008, 24(19), 2270-1.
    • (2008) Bioinformatics (Oxford, England) , vol.24 , Issue.19 , pp. 2270-2271
    • Moda, T.L.1    Torres, L.G.2    Carrara, A.E.3    Andricopulo, A.D.4
  • 38
    • 34247245174 scopus 로고    scopus 로고
    • ADMET evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules?
    • Hou, T.; Wang, J.; Zhang, W.; Xu, X. ADMET evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules? J. Chem. inform. model., 2007, 47(2), 460-3.
    • (2007) J. Chem. inform. model. , vol.47 , Issue.2 , pp. 460-463
    • Hou, T.1    Wang, J.2    Zhang, W.3    Xu, X.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.