메뉴 건너뛰기




Volumn 22, Issue 5, 2013, Pages 2174-2187

Pharmacophore model generation and 3D-QSAR analysis of N-acyl and N-aroylpyrazolines for enzymatic and cellular B-Raf kinase inhibition

Author keywords

3D QSAR; N acyl and N aroylpyrazolines; Pharmacophore; PHASE; Phosphodiesterases; Schr dinger

Indexed keywords

B RAF KINASE INHIBITOR; PYRAZOLINE DERIVATIVE;

EID: 84879624037     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-012-0210-z     Document Type: Article
Times cited : (7)

References (30)
  • 1
    • 4644259265 scopus 로고    scopus 로고
    • Kinase inhibition with BAY 43-9006 in renal cell carcinoma
    • 15448036 10.1158/1078-0432.CCR-040028 1:CAS:528:DC%2BD2cXnvVOjtrw%3D
    • Ahmad T, Eisen T (2004) Kinase inhibition with BAY 43-9006 in renal cell carcinoma. Clin Cancer Res 10:6388S-6392S
    • (2004) Clin Cancer Res , vol.10
    • Ahmad, T.1    Eisen, T.2
  • 2
    • 77957844567 scopus 로고    scopus 로고
    • 3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors
    • 10.1016/j.ejmech.2010.07.042
    • Anna MA, Marco T, Antonino L (2010) 3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors. Eur J Med Chem 45:4774-4782
    • (2010) Eur J Med Chem , vol.45 , pp. 4774-4782
    • Anna, M.A.1    Marco, T.2    Antonino, L.3
  • 6
    • 33845868822 scopus 로고    scopus 로고
    • PHASE: A new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
    • 17124629 10.1007/s10822-006-9087-6 1:CAS:528:DC%2BD28XhtlCksbvE
    • Dixon SL, Smondyrev AM, Knoll EH, Rao SN, Shaw DE, Friesner RA (2006) PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. J Comput Aided Mol Des 20:647-671
    • (2006) J Comput Aided Mol des , vol.20 , pp. 647-671
    • Dixon, S.L.1    Smondyrev, A.M.2    Knoll, E.H.3    Rao, S.N.4    Shaw, D.E.5    Friesner, R.A.6
  • 7
    • 0141816881 scopus 로고    scopus 로고
    • Suppression of BRAF(V599E) in human melanoma abrogates transformation
    • 14500344 1:CAS:528:DC%2BD3sXntlekt7k%3D
    • Hingorani SR, Jacobetz MA, Robertson GP, Herlyn M, Tuveson DA (2003) Suppression of BRAF(V599E) in human melanoma abrogates transformation. Cancer Res 63:5198-5202
    • (2003) Cancer Res , vol.63 , pp. 5198-5202
    • Hingorani, S.R.1    Jacobetz, M.A.2    Robertson, G.P.3    Herlyn, M.4    Tuveson, D.A.5
  • 10
    • 84879624501 scopus 로고    scopus 로고
    • LigPrep Schrödinger, LLC, New York
    • LigPrep (2009) Version 2.3, Schrödinger, LLC, New York
    • (2009) Version 2.3
  • 11
    • 84879673169 scopus 로고    scopus 로고
    • MacroModel Schrödinger, LLC, New York
    • MacroModel (2009) Version 9.7, Schrödinger, LLC, New York
    • (2009) Version 9.7
  • 12
    • 78650194240 scopus 로고    scopus 로고
    • 3D-QSAR of aminophenyl benzamide derivatives as histone deacetylase inhibitors
    • 20977417 10.2174/157340610793358846 1:CAS:528:DC%2BC3cXhsFGnsr3J
    • Mahipal XX, Tanwar OP, Karthikeyan C, Moorthy NSHN, Trivedi P (2010) 3D-QSAR of aminophenyl benzamide derivatives as histone deacetylase inhibitors. Med Chem 6:277-285
    • (2010) Med Chem , vol.6 , pp. 277-285
    • Mahipal, X.X.1    Tanwar, O.P.2    Karthikeyan, C.3    Moorthy, N.4    Trivedi, P.5
  • 14
    • 50449103457 scopus 로고    scopus 로고
    • Docking and quantum mechanics-guided CoMFA analysis of b-RAF inhibitors
    • 10.5012/bkcs.2008.29.8.1499 1:CAS:528:DC%2BD1cXhtFKhtrjM
    • Muddassar M, Pasha FA, Yoo KH, Lee SH, Cho SJ (2008) Docking and quantum mechanics-guided CoMFA analysis of b-RAF inhibitors. Bull Korean Chem Soc 29:1499-1504
    • (2008) Bull Korean Chem Soc , vol.29 , pp. 1499-1504
    • Muddassar, M.1    Pasha, F.A.2    Yoo, K.H.3    Lee, S.H.4    Cho, S.J.5
  • 16
    • 65549143225 scopus 로고    scopus 로고
    • DFT based electrophilicity index and QSAR study of phenols as anti Leukaemia agent American
    • 10.3844/ajisp.2006.23.28 1:CAS:528:DC%2BD2sXitV2is78%3D
    • Pasha FA, Srivastava HK, Beg Y, Singh PP (2006) DFT based electrophilicity index and QSAR study of phenols as anti Leukaemia agent American. J Immunol 2(1):23-28
    • (2006) J Immunol , vol.2 , Issue.1 , pp. 23-28
    • Pasha, F.A.1    Srivastava, H.K.2    Beg, Y.3    Singh, P.P.4
  • 17
    • 69249214194 scopus 로고    scopus 로고
    • Pharmacophore and docking-based combined in silico study of KDR inhibitors
    • 19447057 10.1016/j.jmgm.2009.04.006 1:CAS:528:DC%2BD1MXhtVKksbjM
    • Pasha FA, Muddassar M, Neaz MM, Cho SJ (2009) Pharmacophore and docking-based combined in silico study of KDR inhibitors. J Mol Graph Model 28:54-61
    • (2009) J Mol Graph Model , vol.28 , pp. 54-61
    • Pasha, F.A.1    Muddassar, M.2    Neaz, M.M.3    Cho, S.J.4
  • 19
    • 34248591612 scopus 로고    scopus 로고
    • Targeting the Raf-MEK-ERK mitogenactivated protein kinase cascade for the treatment of cancer
    • 17496923 10.1038/sj.onc.1210422 1:CAS:528:DC%2BD2sXlt1Wktb4%3D
    • Roberts PJ, Der CJ (2007) Targeting the Raf-MEK-ERK mitogenactivated protein kinase cascade for the treatment of cancer. Oncogene 26(22):3291-3310
    • (2007) Oncogene , vol.26 , Issue.22 , pp. 3291-3310
    • Roberts, P.J.1    Der, C.J.2
  • 20
    • 0030898417 scopus 로고    scopus 로고
    • Mitogen-activated protein kinase pathways
    • 9069255 10.1016/S0955-0674(97)80061-0 1:CAS:528:DyaK2sXisVWntLk%3D
    • Robinson MJ, Cobb MH (1997) Mitogen-activated protein kinase pathways. Curr Opin Cell Biol 9:180-186
    • (1997) Curr Opin Cell Biol , vol.9 , pp. 180-186
    • Robinson, M.J.1    Cobb, M.H.2
  • 21
    • 34250892426 scopus 로고    scopus 로고
    • Pharmacophore refinement and 3D-QSAR studies of histamine H3 antagonists
    • 10.1002/qsar.200610144
    • Sachin SN, Mariam SD (2007) Pharmacophore refinement and 3D-QSAR studies of histamine H3 antagonists. QSAR Comb Sci 26:744-753
    • (2007) QSAR Comb Sci , vol.26 , pp. 744-753
    • Sachin, S.N.1    Mariam, S.D.2
  • 22
    • 43749108844 scopus 로고    scopus 로고
    • SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington's disease
    • 10.1016/j.bmc.2008.03.067
    • Samantha L, Cesare M, Aleksey K, Mattia S, Stefano M, Elena C, Dorotea R, Alessandro C (2008) SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington's disease. Bioorg Med Chem 16:5695-5703
    • (2008) Bioorg Med Chem , vol.16 , pp. 5695-5703
    • Samantha, L.1    Cesare, M.2    Aleksey, K.3    Mattia, S.4    Stefano, M.5    Elena, C.6    Dorotea, R.7    Alessandro, C.8
  • 23
    • 84879680222 scopus 로고    scopus 로고
    • PHASE-3.1, Schrödinger, LLC (2009) New York
    • PHASE-3.1, Schrödinger, LLC (2009) New York
  • 24
    • 78650177876 scopus 로고    scopus 로고
    • Pharmacophore generation and atom-based 3D-QSAR of novel 2-(4-methylsulfonylphenyl)pyrimidines as COX-2 inhibitors
    • 19669924 10.1007/s11030-009-9183-3 1:CAS:528:DC%2BC3cXhsValsbjL
    • Shah UA, Deokar HS, Kadam SS, Kulkarni VM (2010) Pharmacophore generation and atom-based 3D-QSAR of novel 2-(4-methylsulfonylphenyl)pyrimidines as COX-2 inhibitors. Mol Divers 14:559-568
    • (2010) Mol Divers , vol.14 , pp. 559-568
    • Shah, U.A.1    Deokar, H.S.2    Kadam, S.S.3    Kulkarni, V.M.4
  • 25
    • 0347301819 scopus 로고    scopus 로고
    • DFT-based QSAR study of testosterone and its derivatives
    • 14697782 10.1016/j.bmc.2003.11.002 1:CAS:528:DC%2BD3sXhtVSjtLfP
    • Singh PP, Srivastava HK, Pasha FA (2004) DFT-based QSAR study of testosterone and its derivatives. Bioorg Med Chem 12:171-177
    • (2004) Bioorg Med Chem , vol.12 , pp. 171-177
    • Singh, P.P.1    Srivastava, H.K.2    Pasha, F.A.3
  • 26
    • 67650716662 scopus 로고    scopus 로고
    • Novel applications of atomic softness and QSAR study of testosterone derivatives
    • 10.1007/s00044-008-9142-z 1:CAS:528:DC%2BD1cXhsVenu7%2FI
    • Srivastava HK, Pasha FA, Mishra SK, Singh PP (2009) Novel applications of atomic softness and QSAR study of testosterone derivatives. Med Chem Res 18:455-466
    • (2009) Med Chem Res , vol.18 , pp. 455-466
    • Srivastava, H.K.1    Pasha, F.A.2    Mishra, S.K.3    Singh, P.P.4
  • 27
    • 84861857678 scopus 로고    scopus 로고
    • 3D-QSAR of amino-substituted pyrido[3,2B]pyrazinones as PDE-5 inhibitors
    • 10.1007/s00044-010-9523-y
    • Tanwar OP, Saha R, Alam MM, Akhtar M (2010) 3D-QSAR of amino-substituted pyrido[3,2B]pyrazinones as PDE-5 inhibitors. Med Chem Res. doi: 10.1007/s00044-010-9523-y
    • (2010) Med Chem Res
    • Tanwar, O.P.1    Saha, R.2    Alam, M.M.3    Akhtar, M.4
  • 29
    • 54949132903 scopus 로고    scopus 로고
    • QSAR models for prediction of glycogen synthase kinase-3b inhibitory activity of indirubin derivatives
    • 10.1002/qsar.200730052
    • Viney L, Rajendra K, Jagmohan SS, Rajendra K, Narasingapuram AK, Vitukudi NB (2008) QSAR models for prediction of glycogen synthase kinase-3b inhibitory activity of indirubin derivatives. QSAR Comb Sci 27:718-728
    • (2008) QSAR Comb Sci , vol.27 , pp. 718-728
    • Viney, L.1    Rajendra, K.2    Jagmohan, S.S.3    Rajendra, K.4    Narasingapuram, A.K.5    Vitukudi, N.B.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.