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Volumn 21, Issue 8, 2012, Pages 2079-2096

Simple and accurate approaches to predict the activity of benzothiadiazine derivatives as HCV inhibitors

Author keywords

BMLR; HCV; QSAR; RBFNN; SVM

Indexed keywords

ANTIVIRUS AGENT; BENZOTHIADIAZINE DERIVATIVE;

EID: 84866057479     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-011-9734-x     Document Type: Article
Times cited : (6)

References (40)
  • 4
    • 78650173327 scopus 로고    scopus 로고
    • QSAR studies of imidazopyridine derivatives as Et-PKG inhibitors using the PSO-SVM approach
    • doi:10.1007/s00044-009-9272-y
    • Cheng Z, Zhang Y, Zhang W (2010) QSAR studies of imidazopyridine derivatives as Et-PKG inhibitors using the PSO-SVM approach. Med Chem Res. doi:10.1007/s00044-009-9272-y
    • (2010) Med Chem Res
    • Cheng, Z.1    Zhang, Y.2    Zhang, W.3
  • 5
    • 0005021878 scopus 로고    scopus 로고
    • Public health effort unwittingly spread HCV
    • Cohen J (1999) Public health effort unwittingly spread HCV. Science 285:27
    • (1999) Science , vol.285 , pp. 27
    • Cohen, J.1
  • 6
    • 76449119392 scopus 로고    scopus 로고
    • Computational studies of new 1,4-dihydropyridines containing 4-(5)-chloro-2-ethyl-5-(4)-imidazolyl substituent: QSAR and docking
    • Davood A, Nematollahi A, Iman M, Shafiee A (2010) Computational studies of new 1,4-dihydropyridines containing 4-(5)-chloro-2-ethyl-5-(4)-imidazolyl substituent: QSAR and docking. Med Chem Res 19:58-70
    • (2010) Med Chem Res , vol.19 , pp. 58-70
    • Davood, A.1    Nematollahi, A.2    Iman, M.3    Shafiee, A.4
  • 8
    • 54049139545 scopus 로고    scopus 로고
    • Prediction of inhibition of matrix metalloproteinase inhibitors based on the combination of projection pursuit regression and grid search method
    • Du H, Wang J, Watzl J, Zhang X, Hu Z (2008) Prediction of inhibition of matrix metalloproteinase inhibitors based on the combination of projection pursuit regression and grid search method. Chemom Intell Lab Syst 93:160-166
    • (2008) Chemom Intell Lab Syst , vol.93 , pp. 160-166
    • Du, H.1    Wang, J.2    Watzl, J.3    Zhang, X.4    Hu, Z.5
  • 10
    • 34247876126 scopus 로고    scopus 로고
    • Further studies on hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors toward improved replicon cell activities: Benzimidazole and structurally related compounds bearing the 2-morpholinophenyl moiety
    • Hirashima S, Oka T, Ikegashira K, Noji S, Yamanaka H, Hara Y, Goto H, Mizojiri R, Niwa Y, Noguchi T, Ando I, Ikeda S, Hashimoto H (2007) Further studies on hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors toward improved replicon cell activities: benzimidazole and structurally related compounds bearing the 2-morpholinophenyl moiety. Bioorg Med Chem Lett 17:3181-3186
    • (2007) Bioorg Med Chem Lett , vol.17 , pp. 3181-3186
    • Hirashima, S.1    Oka, T.2    Ikegashira, K.3    Noji, S.4    Yamanaka, H.5    Hara, Y.6    Goto, H.7    Mizojiri, R.8    Niwa, Y.9    Noguchi, T.10    Ando, I.11    Ikeda, S.12    Hashimoto, H.13
  • 12
    • 84866135015 scopus 로고    scopus 로고
    • HyperChem Release 7.5 for Windows. Hypercube, Inc., Waterloo
    • HyperChem 7.5 (2000) HyperChem Release 7.5 for Windows. Hypercube, Inc., Waterloo
    • (2000) HyperChem 7.5
  • 15
    • 65249145766 scopus 로고    scopus 로고
    • MDL Information Systems. Inc
    • ISIS Draw 2.5 (2002) MDL Information Systems. Inc
    • (2002) ISIS Draw 2.5
  • 17
    • 27644467689 scopus 로고    scopus 로고
    • QSAR studies on 1-henylbenzimidazoles as inhibitors of the plateletderived growth factor
    • Katritzky AR, Dobchev DA, Fara DC, Karelson M (2005) QSAR studies on 1-henylbenzimidazoles as inhibitors of the plateletderived growth factor. Bioorg Med Chem 13:6598-6608
    • (2005) Bioorg Med Chem , vol.13 , pp. 6598-6608
    • Katritzky, A.R.1    Dobchev, D.A.2    Fara, D.C.3    Karelson, M.4
  • 20
    • 73449143145 scopus 로고    scopus 로고
    • Comparative QSTR study of saturated alcohols based on topological, constitutional, geometrical, and getaway descriptors
    • Khan AKR, Sahu VK, Singh RK, Khan SA (2009) Comparative QSTR study of saturated alcohols based on topological, constitutional, geometrical, and getaway descriptors. Med Chem Res 18:770-781
    • (2009) Med Chem Res , vol.18 , pp. 770-781
    • Khan, A.K.R.1    Sahu, V.K.2    Singh, R.K.3    Khan, S.A.4
  • 23
    • 64649095052 scopus 로고    scopus 로고
    • Novel approaches for retention time prediction of oligonucleotides in ion-air reversed-hase high-erformance liquid chromatography
    • Lei B, Li S, Xi L, Li J, Liu H, Yao X (2009) Novel approaches for retention time prediction of oligonucleotides in ion-air reversed-hase high-erformance liquid chromatography. J Chromatogr A 1216:4434-4439
    • (2009) J Chromatogr A , vol.1216 , pp. 4434-4439
    • Lei, B.1    Li, S.2    Xi, L.3    Li, J.4    Liu, H.5    Yao, X.6
  • 25
  • 26
    • 33747892117 scopus 로고    scopus 로고
    • QSPR study of permeability coefficients through lowdensity polyethylene based on radial basis function neural networks and the heuristic method
    • Luan F, Zhang XY, Zhang HX, Zhang RS, Liu MC, Hu ZD, Fan BT (2006) QSPR study of permeability coefficients through lowdensity polyethylene based on radial basis function neural networks and the heuristic method. Comput Mater Sci 37:454-461
    • (2006) Comput Mater Sci , vol.37 , pp. 454-461
    • Luan, F.1    Zhang, X.Y.2    Zhang, H.X.3    Zhang, R.S.4    Liu, M.C.5    Hu, Z.D.6    Fan, B.T.7
  • 27
    • 30844443282 scopus 로고    scopus 로고
    • Molecular similarity and diversity in chemoinformatics: From theory to applications
    • Maldonado AG, Doucet JP, Petitjean M, Fan BT (2006) Molecular similarity and diversity in chemoinformatics: from theory to applications. Mol Divers 10:39-79
    • (2006) Mol Divers , vol.10 , pp. 39-79
    • Maldonado, A.G.1    Doucet, J.P.2    Petitjean, M.3    Fan, B.T.4
  • 28
    • 35148878798 scopus 로고    scopus 로고
    • Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-based virtual screening optimized procedure
    • Melagraki G, Afantitis A, Sarimveis H, Koutentis PA, Markopoulos J, Igglessi-Markopoulou O (2007) Identification of a series of novel derivatives as potent HCV inhibitors by a ligand-based virtual screening optimized procedure. Bioorg Med Chem 15: 7237-7247
    • (2007) Bioorg Med Chem , vol.15 , pp. 7237-7247
    • Melagraki, G.1    Afantitis, A.2    Sarimveis, H.3    Koutentis, P.A.4    Markopoulos, J.5    Igglessi-Markopoulou, O.6
  • 29
    • 4644221540 scopus 로고    scopus 로고
    • Progress and development of small molecule HCV antivirals
    • Ni ZJ, Wagman AS (2004) Progress and development of small molecule HCV antivirals. Curr Opin Drug Discov Dev 7:446-459
    • (2004) Curr Opin Drug Discov Dev , vol.7 , pp. 446-459
    • Ni, Z.J.1    Wagman, A.S.2
  • 30
    • 39449130206 scopus 로고    scopus 로고
    • 3D QSAR and molecular docking studies of benzimidazole derivatives as hepatitis C virus NS5B polymerase inhibitors
    • Patel PD, Patel MR, Kaushik-Basu N, Talele TT (2008) 3D QSAR and molecular docking studies of benzimidazole derivatives as hepatitis C virus NS5B polymerase inhibitors. J Chem Inf Model 48:42-55
    • (2008) J Chem Inf Model , vol.48 , pp. 42-55
    • Patel, P.D.1    Patel, M.R.2    Kaushik-Basu, N.3    Talele, T.T.4
  • 33
    • 64349084266 scopus 로고    scopus 로고
    • Identification of novel inhibitors of HCV RNA-dependent RNA polymerase by pharmacophore-based virtual screening and in vitro evaluation
    • Ryu K, Kim ND, Il Choi S, Han CK, Yoon JH, No KT, Kim KH, Seong BL (2009) Identification of novel inhibitors of HCV RNA-dependent RNA polymerase by pharmacophore-based virtual screening and in vitro evaluation. Bioorg Med Chem 17:2975-2982
    • (2009) Bioorg Med Chem , vol.17 , pp. 2975-2982
    • Ryu, K.1    Kim, N.D.2    Il Choi, S.3    Han, C.K.4    Yoon, J.H.5    No, K.T.6    Kim, K.H.7    Seong, B.L.8
  • 37
    • 60849098417 scopus 로고    scopus 로고
    • Interferon alpha delivery systems for the treatment of hepatitis C
    • Thitinan S, McConville JT (2009) Interferon alpha delivery systems for the treatment of hepatitis C. Int J Pharm 369:121-135
    • (2009) Int J Pharm , vol.369 , pp. 121-135
    • Thitinan, S.1    McConville, J.T.2
  • 38
    • 42249111023 scopus 로고    scopus 로고
    • Changing trends in hepatitis C-related mortality in the United States, 1995-2004
    • Wise M, Bialek S, Finelli L, Bell BP, Sorvillo F (2008) Changing trends in hepatitis C-related mortality in the United States, 1995-2004. Hepatology 47:1128-1135
    • (2008) Hepatology , vol.47 , pp. 1128-1135
    • Wise, M.1    Bialek, S.2    Finelli, L.3    Bell, B.P.4    Sorvillo, F.5
  • 39
    • 45849126488 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptor
    • Xia BB, Ma WP, Zheng B, Zhang XY, Fan BT (2008) Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptor. Eur J Med Chem 43:1489-1498
    • (2008) Eur J Med Chem , vol.43 , pp. 1489-1498
    • Xia, B.B.1    Ma, W.P.2    Zheng, B.3    Zhang, X.Y.4    Fan, B.T.5
  • 40
    • 34250845896 scopus 로고    scopus 로고
    • QSAR method for prediction of protein-eptide binding affinity: Application to MHC class i molecule HLA-A*0201
    • Zhao C, Zhang H, Luan F, Zhang R, Liu M, Hu Z, Fan B (2007) QSAR method for prediction of protein-eptide binding affinity: application to MHC class I molecule HLA-A*0201. J Mol Graph Model 26:246-254
    • (2007) J Mol Graph Model , vol.26 , pp. 246-254
    • Zhao, C.1    Zhang, H.2    Luan, F.3    Zhang, R.4    Liu, M.5    Hu, Z.6    Fan, B.7


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.