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Volumn 5, Issue 3, 2009, Pages 200-214

Recent studies of QSAR on inhibitors of estrogen receptor and human eosinophil phosphodiesterase

Author keywords

Active conformation; Alignment rules; CoMFA; CoMSIA; HQSAR; Human eosinophil phosphodiesterase (PDE4); Inhibitors of estrogen receptor

Indexed keywords

COMPUTATIONAL CHEMISTRY; DISEASES; ESTERS; MOLECULAR GRAPHICS; MOLECULES;

EID: 70350017834     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340909789054702     Document Type: Review
Times cited : (5)

References (124)
  • 2
    • 34247623520 scopus 로고    scopus 로고
    • Adaptive neuro-fuzzy inference system (ANFIS): A new approach to predictive modeling in QSAR applications: a study of neuro-fuzzy modeling of PCP-based NMDA receptor antagonists
    • Buyukbingol, E.; Sisman, A.; Akyildiz, M.; Alparslan, F.N.; Adejare, A. Adaptive neuro-fuzzy inference system (ANFIS): a new approach to predictive modeling in QSAR applications: a study of neuro-fuzzy modeling of PCP-based NMDA receptor antagonists. Bioorg. Med. Chem., 2007, 15, 4265-4282.
    • (2007) Bioorg. Med. Chem , vol.15 , pp. 4265-4282
    • Buyukbingol, E.1    Sisman, A.2    Akyildiz, M.3    Alparslan, F.N.4    Adejare, A.5
  • 3
    • 33845352185 scopus 로고    scopus 로고
    • QSAR modeling of human serum protein binding with several modeling techniques utilizing structure-information representation
    • Votano, J.R.; Parham, M.; Hall, L.M.; Hall, L.H.; Kier, L.B.; Oloff, S.; Tropsha, A. QSAR modeling of human serum protein binding with several modeling techniques utilizing structure-information representation. J. Med. Chem., 2006, 49, 7169-7181.
    • (2006) J. Med. Chem , vol.49 , pp. 7169-7181
    • Votano, J.R.1    Parham, M.2    Hall, L.M.3    Hall, L.H.4    Kier, L.B.5    Oloff, S.6    Tropsha, A.7
  • 4
    • 8544284073 scopus 로고    scopus 로고
    • New predictors for several ADME/Tox properties: Aqueous solubility, human oral absorption, and Ames genotoxicity using topological descriptors
    • Votano, J.R.; Parham, M.; Hall, L.H.; Kier, L.B. New predictors for several ADME/Tox properties: aqueous solubility, human oral absorption, and Ames genotoxicity using topological descriptors. Mol. Divers., 2004, 8, 379-391.
    • (2004) Mol. Divers , vol.8 , pp. 379-391
    • Votano, J.R.1    Parham, M.2    Hall, L.H.3    Kier, L.B.4
  • 5
    • 40149105117 scopus 로고    scopus 로고
    • QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm
    • Jalali-Heravi, M.; Asadollahi-Baboli, M.; Shahbazikhah, P. QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm. Eur. J. Med. Chem., 2008, 43, 548-556.
    • (2008) Eur. J. Med. Chem , vol.43 , pp. 548-556
    • Jalali-Heravi, M.1    Asadollahi-Baboli, M.2    Shahbazikhah, P.3
  • 6
    • 33747688457 scopus 로고    scopus 로고
    • Application of artificial neural networks and DFT-based parameters for prediction of reaction kinetics of ethylbenzene dehydrogenase
    • Szaleniec, M.; Witko, M.; Tadeusiewicz, R.; Goclon, J. Application of artificial neural networks and DFT-based parameters for prediction of reaction kinetics of ethylbenzene dehydrogenase. J. Comput. Aided Mol. Des., 2006, 20, 145-157.
    • (2006) J. Comput. Aided Mol. Des , vol.20 , pp. 145-157
    • Szaleniec, M.1    Witko, M.2    Tadeusiewicz, R.3    Goclon, J.4
  • 7
    • 20344407072 scopus 로고    scopus 로고
    • Liu, G.; Yu, J. QSAR analysis of soil sorption coefficients for polar organic chemicals: substituted anilines and phenols. Water Res., 200 5, 39, 2048-2055.
    • Liu, G.; Yu, J. QSAR analysis of soil sorption coefficients for polar organic chemicals: substituted anilines and phenols. Water Res., 200 5, 39, 2048-2055.
  • 8
    • 4043078536 scopus 로고    scopus 로고
    • Application of ab initio theory to QSAR study of 1,4-dihydropyridine-based calcium channel blockers using GA-MLR and PC-GA-ANN procedures
    • Hemmateenejad, B.; Safarpour, M.A.; Miri, R.; Taghavi, F. Application of ab initio theory to QSAR study of 1,4-dihydropyridine-based calcium channel blockers using GA-MLR and PC-GA-ANN procedures. J. Comput. Chem., 2004, 25, 1495-1503.
    • (2004) J. Comput. Chem , vol.25 , pp. 1495-1503
    • Hemmateenejad, B.1    Safarpour, M.A.2    Miri, R.3    Taghavi, F.4
  • 9
    • 0037110474 scopus 로고    scopus 로고
    • Genetic training of network using chaos concept: Application to QSAR studies of vibration modes of tetrahedral halides
    • Lu, Q.; Shen, G.; Yu, R. Genetic training of network using chaos concept: application to QSAR studies of vibration modes of tetrahedral halides. J. Comput. Chem., 2002, 23, 1357-1365.
    • (2002) J. Comput. Chem , vol.23 , pp. 1357-1365
    • Lu, Q.1    Shen, G.2    Yu, R.3
  • 10
    • 33751325490 scopus 로고    scopus 로고
    • Quantitative structure-activity (affinity) relationship (QSAR) study on protonation and cationization of alpha-amino acids
    • Siu, F.M.; Che, C.M. Quantitative structure-activity (affinity) relationship (QSAR) study on protonation and cationization of alpha-amino acids. J. Phys. Chem. A., 2006, 110, 12348-12354.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 12348-12354
    • Siu, F.M.1    Che, C.M.2
  • 11
    • 33644782970 scopus 로고    scopus 로고
    • QSAR for anti-malarial activity of 2-aziridinyl and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate derivatives
    • Zahouily, M.; Lazar, M.; Elmakssoudi, A.; Rakik, J.; Elaychi, S.; Rayadh, A. QSAR for anti-malarial activity of 2-aziridinyl and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate derivatives. J. Mol. Model., 2006, 12, 398-405.
    • (2006) J. Mol. Model , vol.12 , pp. 398-405
    • Zahouily, M.1    Lazar, M.2    Elmakssoudi, A.3    Rakik, J.4    Elaychi, S.5    Rayadh, A.6
  • 12
    • 0033642288 scopus 로고    scopus 로고
    • Partial least squares modeling and genetic algorithm optimization in quantitative structure-activity relationships
    • Hasegawa, K.; Funatsu, K. Partial least squares modeling and genetic algorithm optimization in quantitative structure-activity relationships. SAR QSAR Environ. Res., 2000, 11, 189-209.
    • (2000) SAR QSAR Environ. Res , vol.11 , pp. 189-209
    • Hasegawa, K.1    Funatsu, K.2
  • 13
    • 34447335391 scopus 로고    scopus 로고
    • ANN-QSAR model of drug-binding to human serum albumin
    • Deeb, O.; Hemmateenejad, B. ANN-QSAR model of drug-binding to human serum albumin. Chem. Biol. Drug Des., 2007, 70, 19-29.
    • (2007) Chem. Biol. Drug Des , vol.70 , pp. 19-29
    • Deeb, O.1    Hemmateenejad, B.2
  • 14
    • 34250824089 scopus 로고    scopus 로고
    • In silico screening of estrogen-like chemicals based on different nonlinear classification models
    • Liu, H.; Papa, E.; Walker, J.D.; Gramatica, P. In silico screening of estrogen-like chemicals based on different nonlinear classification models. J. Mol. Graph. Model., 2007, 26, 135-144.
    • (2007) J. Mol. Graph. Model , vol.26 , pp. 135-144
    • Liu, H.1    Papa, E.2    Walker, J.D.3    Gramatica, P.4
  • 16
    • 34347372642 scopus 로고    scopus 로고
    • Support vector machine for SAR/QSAR of phenethyl-amines
    • Niu, B.; Lu, W.C.; Yang, S.S.; Cai, Y.D.; Li, G.Z. Support vector machine for SAR/QSAR of phenethyl-amines. Acta Pharmacol. Sin., 2007, 28, 1075-1086.
    • (2007) Acta Pharmacol. Sin , vol.28 , pp. 1075-1086
    • Niu, B.1    Lu, W.C.2    Yang, S.S.3    Cai, Y.D.4    Li, G.Z.5
  • 17
    • 35348816323 scopus 로고    scopus 로고
    • A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine
    • Fatemi, M.H.; Gharaghani, S. A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine. Bioorg. Med. Chem., 2007, 15, 7746-7754.
    • (2007) Bioorg. Med. Chem , vol.15 , pp. 7746-7754
    • Fatemi, M.H.1    Gharaghani, S.2
  • 18
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. effect of shape on binding of steroids to carrier proteins
    • Cramer, R.D.; Patterson, D.E.; Bunce, J.D. Comparative molecular field analysis (CoMFA). 1. effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc., 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 19
    • 0024491426 scopus 로고
    • Recent advances in comparative molecular field analysis (CoMFA)
    • Cramer, R.D.; Patterson, D.E.; Bunce, J.D. Recent advances in comparative molecular field analysis (CoMFA). Prog. Clin. Biol. Res., 1989, 291, 161-165.
    • (1989) Prog. Clin. Biol. Res , vol.291 , pp. 161-165
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 20
    • 47349088078 scopus 로고    scopus 로고
    • 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. Recent advances in QSAR and their applications in predicting the activities of chemical molecules, peptides and proteins for drug design. Curr. Protein Pept. Sci., 2008, 9, 248-260.
    • (2008) Curr. Protein Pept. Sci , vol.9 , pp. 248-260
    • Du, Q.S.1    Huang, R.B.2    Chou, K.C.3
  • 21
    • 47349093653 scopus 로고    scopus 로고
    • Non-nucleoside inhibitors of NS5B polymerase binding to allosteric sites: 3D-QSAR and molecular docking studies
    • Cao, H.; Cao, R.; Zhang, H.; Zheng, X.; Gao, D. Non-nucleoside inhibitors of NS5B polymerase binding to allosteric sites: 3D-QSAR and molecular docking studies. Curr. Med. Chem., 2008, 15, 1462-1477.
    • (2008) Curr. Med. Chem , vol.15 , pp. 1462-1477
    • Cao, H.1    Cao, R.2    Zhang, H.3    Zheng, X.4    Gao, D.5
  • 22
    • 40649112376 scopus 로고    scopus 로고
    • Exploring the P2 and P3 ligand binding features for hepatitis C virus NS3 protease using some 3D QSAR techniques
    • Wei, H.Y.; Lu, C.S.; Lin, T.H. Exploring the P2 and P3 ligand binding features for hepatitis C virus NS3 protease using some 3D QSAR techniques. J. Mol. Graph. Model., 2008, 26, 1131-1144.
    • (2008) J. Mol. Graph. Model , vol.26 , pp. 1131-1144
    • Wei, H.Y.1    Lu, C.S.2    Lin, T.H.3
  • 23
    • 0027944195 scopus 로고
    • Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
    • Klebe, G.; Mietzner, T.; Mietzner, T. Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J. Med. Chem., 1994, 37, 4130-4146.
    • (1994) J. Med. Chem , vol.37 , pp. 4130-4146
    • Klebe, G.1    Mietzner, T.2    Mietzner, T.3
  • 24
    • 44449158893 scopus 로고    scopus 로고
    • Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses
    • Caballero, J.; Fernández, M.; González-Nilo, F.D. Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses. Bioorg. Med. Chem., 2008, 16, 6103-6115.
    • (2008) Bioorg. Med. Chem , vol.16 , pp. 6103-6115
    • Caballero, J.1    Fernández, M.2    González-Nilo, F.D.3
  • 25
    • 26944484425 scopus 로고    scopus 로고
    • Modeling ligand-receptor interaction for some MHC class II HLA-DR4 peptide mimetic inhibitors using several molecular docking and 3D QSAR techniques
    • Wei, H.Y.; Tsai, K.C.; Lin, T.H. Modeling ligand-receptor interaction for some MHC class II HLA-DR4 peptide mimetic inhibitors using several molecular docking and 3D QSAR techniques. J. Chem. Inf. Model., 2005, 45, 1343-1351.
    • (2005) J. Chem. Inf. Model , vol.45 , pp. 1343-1351
    • Wei, H.Y.1    Tsai, K.C.2    Lin, T.H.3
  • 28
    • 0034676316 scopus 로고    scopus 로고
    • Multiple-conformation and protonation-state representation in 4D-QSAR: The neurokinin-1 receptor system
    • Vedani, A.; Briem, H.; Dobler, M.; Dollinger, H.; McMasters, D.R. Multiple-conformation and protonation-state representation in 4D-QSAR: the neurokinin-1 receptor system. J. Med. Chem., 2000, 43, 4416-4427.
    • (2000) J. Med. Chem , vol.43 , pp. 4416-4427
    • Vedani, A.1    Briem, H.2    Dobler, M.3    Dollinger, H.4    McMasters, D.R.5
  • 29
    • 0345117314 scopus 로고    scopus 로고
    • Multimode ligand binding in receptor site modeling: Implementation in CoMFA
    • Lukacova, V.; Balaz, S. Multimode ligand binding in receptor site modeling: implementation in CoMFA. J. Chem. Inf. Comput. Sci., 2003, 43, 2093-2105.
    • (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 2093-2105
    • Lukacova, V.1    Balaz, S.2
  • 30
    • 20144371130 scopus 로고    scopus 로고
    • Combining protein modeling and 6D-QSAR. Simulating the binding of structurally diverse ligands to the estrogen receptor
    • Vedani, A.; Dobler, M.; Lill, M.A. Combining protein modeling and 6D-QSAR. Simulating the binding of structurally diverse ligands to the estrogen receptor. J. Med. Chem., 2005, 48, 3700-3703.
    • (2005) J. Med. Chem , vol.48 , pp. 3700-3703
    • Vedani, A.1    Dobler, M.2    Lill, M.A.3
  • 31
    • 14944341046 scopus 로고    scopus 로고
    • Novel ligands for the chemokine receptor-3 (CCR3): A receptor-modeling study based on 5D-QSAR
    • Vedani, A.; Dobler, M.; Dollinger, H.; Hasselbach, K.M.; Birke, F.; Lill, M.A. Novel ligands for the chemokine receptor-3 (CCR3): A receptor-modeling study based on 5D-QSAR. J. Med. Chem., 2005, 48, 1515-1527.
    • (2005) J. Med. Chem , vol.48 , pp. 1515-1527
    • Vedani, A.1    Dobler, M.2    Dollinger, H.3    Hasselbach, K.M.4    Birke, F.5    Lill, M.A.6
  • 32
    • 36549030345 scopus 로고    scopus 로고
    • Multi-dimensional QSAR in drug discovery
    • Lill, M.A. Multi-dimensional QSAR in drug discovery. Drug Discov. Today, 2007, 12, 1013-1017.
    • (2007) Drug Discov. Today , vol.12 , pp. 1013-1017
    • Lill, M.A.1
  • 33
    • 38349051072 scopus 로고    scopus 로고
    • 3D-QSAR and docking studies of 3-arylquinazolinethione derivatives as selective estrogen receptor modulators
    • Xiao, A.J.; Zhang, Z.Y.; An, L.Y.; Xiang, Y.H. 3D-QSAR and docking studies of 3-arylquinazolinethione derivatives as selective estrogen receptor modulators. J. Mol. Model., 2008, 14, 149-159.
    • (2008) J. Mol. Model , vol.14 , pp. 149-159
    • Xiao, A.J.1    Zhang, Z.Y.2    An, L.Y.3    Xiang, Y.H.4
  • 34
    • 70350025945 scopus 로고    scopus 로고
    • Huo, J.X.; Zhang, Z.Y.; Xiao, A.J.; Xiang, Y.H. QSAR Study of a Series of 5,6-Dihydro-(9H)-pyrazolo[3,4-c]-1,2,4 -triazolo[4,3-a]pyridine Inhibitors by CoMFA. Comput. Appl. Chem., 2009, 26, 171-174.
    • Huo, J.X.; Zhang, Z.Y.; Xiao, A.J.; Xiang, Y.H. QSAR Study of a Series of 5,6-Dihydro-(9H)-pyrazolo[3,4-c]-1,2,4 -triazolo[4,3-a]pyridine Inhibitors by CoMFA. Comput. Appl. Chem., 2009, 26, 171-174.
  • 35
    • 70350036489 scopus 로고    scopus 로고
    • HQSAR study of a series of 5,6-dihydro-(9H)-pyrazolo[3,4-c]-1,2,4-triazolo[4,3-α] pyridine inhibitors
    • In press
    • Huo, J.X.; Zhang, Z.Y.; Xiao A.J.; Xiang, Y.H. HQSAR study of a series of 5,6-dihydro-(9H)-pyrazolo[3,4-c]-1,2,4-triazolo[4,3-α] pyridine inhibitors. Chem. Res. Appl., In press.
    • Chem. Res. Appl
    • Huo, J.X.1    Zhang, Z.Y.2    Xiao, A.J.3    Xiang, Y.H.4
  • 38
    • 33846455467 scopus 로고    scopus 로고
    • SAR of a series of 5,6-dihydro-(9H)-pyrazolo [3,4-c]-1,2,4-triazolo[4,3-a]pyridines as potent inhibitors of human eosinophil phosphodiesterase
    • Duplantier, A.J.; Bachert, E.L. SAR of a series of 5,6-dihydro-(9H)-pyrazolo [3,4-c]-1,2,4-triazolo[4,3-a]pyridines as potent inhibitors of human eosinophil phosphodiesterase. J. Med. Chem., 2007, 50, 344-349.
    • (2007) J. Med. Chem , vol.50 , pp. 344-349
    • Duplantier, A.J.1    Bachert, E.L.2
  • 39
  • 40
    • 43049156207 scopus 로고    scopus 로고
    • Phosphodiesterase 4 inhibitors delay human eosinophil and neutrophil apoptosis in the absence and presence of salbutamol
    • Parkkonen, J.; Hasala, H.; Moilanen, E.; Giembycz, M.A.; Kankaanranta, H. Phosphodiesterase 4 inhibitors delay human eosinophil and neutrophil apoptosis in the absence and presence of salbutamol. Pulm. Pharmacol. Ther., 2008, 21, 499-506.
    • (2008) Pulm. Pharmacol. Ther , vol.21 , pp. 499-506
    • Parkkonen, J.1    Hasala, H.2    Moilanen, E.3    Giembycz, M.A.4    Kankaanranta, H.5
  • 41
    • 0010914989 scopus 로고
    • The Lattice Model: A general paradigm for shape-related structure/activity correlation
    • COMP 44
    • Cramer, R.D.; Milne, M. The Lattice Model: A general paradigm for shape-related structure/activity correlation. Abstracts ACS Meeting, 1979, COMP 44.
    • (1979) Abstracts ACS Meeting
    • Cramer, R.D.1    Milne, M.2
  • 42
    • 0001681052 scopus 로고
    • The collinearity problem in linear regression. the partial least squares (PLS) approach to generalized inverses
    • Wold, S.; Ruhe, A.; Wold, H.; Dunn, W.J. The collinearity problem in linear regression. the partial least squares (PLS) approach to generalized inverses. SIAM J. Sci. Stat.Comput., 1984, 5, 735-743.
    • (1984) SIAM J. Sci. Stat.Comput , vol.5 , pp. 735-743
    • Wold, S.1    Ruhe, A.2    Wold, H.3    Dunn, W.J.4
  • 43
    • 33845948232 scopus 로고    scopus 로고
    • A comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of anthranilamide derivatives that are multidrug resistance modulators
    • Labrie, P.; Maddaford, S.P.; Fortin, S.; Rakhit, S.; Kotra, L.P.; Gaudreault, R. A comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of anthranilamide derivatives that are multidrug resistance modulators. J. Med. Chem., 2006, 49, 7646-7660.
    • (2006) J. Med. Chem , vol.49 , pp. 7646-7660
    • Labrie, P.1    Maddaford, S.P.2    Fortin, S.3    Rakhit, S.4    Kotra, L.P.5    Gaudreault, R.6
  • 44
    • 0001236393 scopus 로고    scopus 로고
    • On the use of chemical function-based alignments as input for 3D-QSAR
    • Langer, T.; Hoffmann, R.D. On the use of chemical function-based alignments as input for 3D-QSAR. J. Chem. Inf. Comput. Sci., 1998, 38, 325-330.
    • (1998) J. Chem. Inf. Comput. Sci , vol.38 , pp. 325-330
    • Langer, T.1    Hoffmann, R.D.2
  • 45
    • 34047092770 scopus 로고    scopus 로고
    • 3D-QSAR study of hallucinogenic phenylalkylamines by using CoMFA approach
    • Zhang, Z.Y.; An, L.Y.; Hu, W.X.; Xiang, Y.H. 3D-QSAR study of hallucinogenic phenylalkylamines by using CoMFA approach. J. Comput. Aided Mol. Des., 2007, 21, 145-153.
    • (2007) J. Comput. Aided Mol. Des , vol.21 , pp. 145-153
    • Zhang, Z.Y.1    An, L.Y.2    Hu, W.X.3    Xiang, Y.H.4
  • 46
    • 0030828455 scopus 로고    scopus 로고
    • Molecular modeling and 3D-QSAR studies on the interaction mechanism of tripeptidyl thrombin inhibitors with human r-thrombin
    • Jiang, H.L.; Chen, K.X.; Tang, Y.; Chen, J.; Li, Q.; Wang, Q.M.; Ji, R.Y. Molecular modeling and 3D-QSAR studies on the interaction mechanism of tripeptidyl thrombin inhibitors with human r-thrombin. J. Med. Chem., 1997, 40, 3085-3090.
    • (1997) J. Med. Chem , vol.40 , pp. 3085-3090
    • Jiang, H.L.1    Chen, K.X.2    Tang, Y.3    Chen, J.4    Li, Q.5    Wang, Q.M.6    Ji, R.Y.7
  • 47
    • 0030203463 scopus 로고    scopus 로고
    • A proposed common spatial pharmacophore and the corresponding active conformations of some peptide leukotriene receptor antagonists
    • Hariprasad, V.; Kulkarni, V.M. A proposed common spatial pharmacophore and the corresponding active conformations of some peptide leukotriene receptor antagonists. J. Comput. Aided Mol. Des., 1996, 10, 284-292.
    • (1996) J. Comput. Aided Mol. Des , vol.10 , pp. 284-292
    • Hariprasad, V.1    Kulkarni, V.M.2
  • 48
    • 0032109496 scopus 로고    scopus 로고
    • Comparative molecular field analysis (CoMFA) of a series of symmetrical bis-Benzamide cyclic urea derivatives as HIV-1 protease inhibitors
    • Debnath, A.K. Comparative molecular field analysis (CoMFA) of a series of symmetrical bis-Benzamide cyclic urea derivatives as HIV-1 protease inhibitors. J. Chem. Inf. Comput. Sci., 1998, 38, 761-767.
    • (1998) J. Chem. Inf. Comput. Sci , vol.38 , pp. 761-767
    • Debnath, A.K.1
  • 49
    • 0037153231 scopus 로고    scopus 로고
    • Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A
    • Cui, M.; Huang, X.Q.; Luo, X.M.; Briggs, J.M.; Ji, R.Y.; Chen, K.X.; Shen, J.H.; Jiang H.L. Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A. J. Med. Chem., 2002, 45, 5249-5259.
    • (2002) J. Med. Chem , vol.45 , pp. 5249-5259
    • Cui, M.1    Huang, X.Q.2    Luo, X.M.3    Briggs, J.M.4    Ji, R.Y.5    Chen, K.X.6    Shen, J.H.7    Jiang, H.L.8
  • 50
    • 2142652097 scopus 로고    scopus 로고
    • 3D-QSAR CoMFA/CoMSIA studies on Urokinase plasminogen activator (uPA) inhibitors: A strategic design in novel anticancer agents
    • Bhongade, B.A.; Gadad, A.K. 3D-QSAR CoMFA/CoMSIA studies on Urokinase plasminogen activator (uPA) inhibitors: a strategic design in novel anticancer agents. Bioorg. Med. Chem., 2004, 12, 2797-2805.
    • (2004) Bioorg. Med. Chem , vol.12 , pp. 2797-2805
    • Bhongade, B.A.1    Gadad, A.K.2
  • 51
    • 46349108660 scopus 로고    scopus 로고
    • 3D-QSAR CoMFA study of some heteroarylpyrroles as possible anticandida agents
    • Sharma, P.C.; Sharma, S.V.; Sharma A.; Suresh B. 3D-QSAR CoMFA study of some heteroarylpyrroles as possible anticandida agents. Indian J. Pharm. Sci., 2008, 70, 154-158.
    • (2008) Indian J. Pharm. Sci , vol.70 , pp. 154-158
    • Sharma, P.C.1    Sharma, S.V.2    Sharma, A.3    Suresh, B.4
  • 52
    • 2942573520 scopus 로고    scopus 로고
    • Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist
    • Dixit, A.; Kashaw, S.K.; Gaur, S.; Saxena, A.K. Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist. Bioorg. Med. Chem., 2004, 12, 3591-3598.
    • (2004) Bioorg. Med. Chem , vol.12 , pp. 3591-3598
    • Dixit, A.1    Kashaw, S.K.2    Gaur, S.3    Saxena, A.K.4
  • 53
    • 14644443531 scopus 로고    scopus 로고
    • Binding model construction of antifungal 2-Aryl-4-chromanones
    • Wei, D.G.; Yang, G.F.; Wan, J.; Zhan, C.G. Binding model construction of antifungal 2-Aryl-4-chromanones. J. Agric. Food Chem., 2005, 53, 1604-1611.
    • (2005) J. Agric. Food Chem , vol.53 , pp. 1604-1611
    • Wei, D.G.1    Yang, G.F.2    Wan, J.3    Zhan, C.G.4
  • 54
    • 0034676326 scopus 로고    scopus 로고
    • Computational studies on HIV-1 protease inhibitors: Influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models
    • Jayatilleke, P.R.; Nair, A.C.; Zauhar, R.; Welsh, W.J. Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models. J. Med. Chem., 2000, 43, 4446-4451.
    • (2000) J. Med. Chem , vol.43 , pp. 4446-4451
    • Jayatilleke, P.R.1    Nair, A.C.2    Zauhar, R.3    Welsh, W.J.4
  • 55
    • 0032972812 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship of interleukin 1-β converting enzyme inhibitors: A comparative molecular field analysis study
    • Kulkarni, S.S.; Kulkarni, V.M. Three-dimensional quantitative structure-activity relationship of interleukin 1-β converting enzyme inhibitors: A comparative molecular field analysis study. J. Med. Chem., 1999, 42, 373-380.
    • (1999) J. Med. Chem , vol.42 , pp. 373-380
    • Kulkarni, S.S.1    Kulkarni, V.M.2
  • 56
    • 0033619988 scopus 로고    scopus 로고
    • Comparative molecular field analysis of fungal squalene epoxidase inhibitors
    • Gokhale, V.M.; Kulkarni, V.M. Comparative molecular field analysis of fungal squalene epoxidase inhibitors. J. Med. Chem., 1999, 42, 5348-5358.
    • (1999) J. Med. Chem , vol.42 , pp. 5348-5358
    • Gokhale, V.M.1    Kulkarni, V.M.2
  • 57
    • 13344282738 scopus 로고    scopus 로고
    • Molecular modeling of azole antifungal agents active against Candida albicans. 1. a comparative molecular field analysis study
    • Tafi, A.; Anastassopoulou, J.; Theophanides, T.; Botta, M.; Corelli, F.S.; Massa, A.M.; Costi, R.; Santo, R.D.; Ragno, R. Molecular modeling of azole antifungal agents active against Candida albicans. 1. a comparative molecular field analysis study. J. Med. Chem., 1996, 39, 1227-1235.
    • (1996) J. Med. Chem , vol.39 , pp. 1227-1235
    • Tafi, A.1    Anastassopoulou, J.2    Theophanides, T.3    Botta, M.4    Corelli, F.S.5    Massa, A.M.6    Costi, R.7    Santo, R.D.8    Ragno, R.9
  • 58
    • 0346040431 scopus 로고    scopus 로고
    • Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-L-tyrosines as PPARγ agonists
    • Rathi, L.; Kashaw, S.K.; Dixit, A.; Pandey, G.; Saxena, A.K. Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-L-tyrosines as PPARγ agonists. Bioorg. Med. Chem., 2004, 12, 63-69.
    • (2004) Bioorg. Med. Chem , vol.12 , pp. 63-69
    • Rathi, L.1    Kashaw, S.K.2    Dixit, A.3    Pandey, G.4    Saxena, A.K.5
  • 59
    • 70350027099 scopus 로고    scopus 로고
    • http://www.netsci.org/Science/Compchem/feature09.html
  • 60
    • 0001589603 scopus 로고    scopus 로고
    • Development of pharmacophore alignment models as input for comparative molecular field analysis of a diverse set of azole antifungal agents
    • Talele, T.T.; Kulkarni, S.S.; Kulkarni, V.M. Development of pharmacophore alignment models as input for comparative molecular field analysis of a diverse set of azole antifungal agents. J. Chem. Inf. Comput. Sci., 1999, 39, 958-966.
    • (1999) J. Chem. Inf. Comput. Sci , vol.39 , pp. 958-966
    • Talele, T.T.1    Kulkarni, S.S.2    Kulkarni, V.M.3
  • 62
    • 0037068480 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationships of mazindol analogues at the dopamine transporter
    • Kulkarni, S.S., Newman, A.H.; Houlihan, W.J. Three-dimensional quantitative structure-activity relationships of mazindol analogues at the dopamine transporter. J. Med. Chem., 2002, 45, 4119-4127.
    • (2002) J. Med. Chem , vol.45 , pp. 4119-4127
    • Kulkarni, S.S.1    Newman, A.H.2    Houlihan, W.J.3
  • 63
    • 0036802392 scopus 로고    scopus 로고
    • Influence of the structural diversity of data sets on the statistical quality of three-dimensional quantitative structure-activity relationship (3D-QSAR) models: Predicting the estrogenic activity of xenoestrogens
    • Yu, S.J.; Keenan, S.M.; Tong, W.; Welsh, W.J. Influence of the structural diversity of data sets on the statistical quality of three-dimensional quantitative structure-activity relationship (3D-QSAR) models: predicting the estrogenic activity of xenoestrogens. Chem. Res. Toxicol., 2002, 15, 1229-1234.
    • (2002) Chem. Res. Toxicol , vol.15 , pp. 1229-1234
    • Yu, S.J.1    Keenan, S.M.2    Tong, W.3    Welsh, W.J.4
  • 65
    • 33645206697 scopus 로고    scopus 로고
    • 3D-QSAR studies on phthalimide derivatives as HIV-1 reverse transcriptase inhibitors
    • Samee, W.; Ungwitayatorn, J.; Matayatsuk, C.; Pimthon, J. 3D-QSAR studies on phthalimide derivatives as HIV-1 reverse transcriptase inhibitors. ScienceAsia, 2004, 30, 81-88.
    • (2004) ScienceAsia , vol.30 , pp. 81-88
    • Samee, W.1    Ungwitayatorn, J.2    Matayatsuk, C.3    Pimthon, J.4
  • 66
    • 11644261806 scopus 로고    scopus 로고
    • Automated docking using a lamarckian genetic algorithm and empirical binding free energy function
    • Morris, G.M.; Goodsell, D.S.; Halliday, R.S.; Huey, R.; Hart, W.E.; Belew, R.K.; Olson, A.J. Automated docking using a lamarckian genetic algorithm and empirical binding free energy function. J. Comput. Chem., 1998, 19, 1639-1662.
    • (1998) J. Comput. Chem , vol.19 , pp. 1639-1662
    • Morris, G.M.1    Goodsell, D.S.2    Halliday, R.S.3    Huey, R.4    Hart, W.E.5    Belew, R.K.6    Olson, A.J.7
  • 67
    • 70350040275 scopus 로고    scopus 로고
    • http://www.ccdc.ac.uk/prods/gold.html
  • 68
    • 0030599010 scopus 로고    scopus 로고
    • A fast flexible docking method using an incremental construction algorithm
    • Rarey, M.; Kramer, B.; Lengauer, T.; Klebe, G. A fast flexible docking method using an incremental construction algorithm. J. Mol. Biol., 1996, 261, 470-489.
    • (1996) J. Mol. Biol , vol.261 , pp. 470-489
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3    Klebe, G.4
  • 69
    • 85135600273 scopus 로고    scopus 로고
    • Jain, A.N. Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search. J. Comput. Aided Mol. Des., 2007, 21, 281-306.
    • Jain, A.N. Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search. J. Comput. Aided Mol. Des., 2007, 21, 281-306.
  • 70
    • 35248826518 scopus 로고    scopus 로고
    • Design of inhibitors of the murF enzyme of streptococcus pneumoniae using docking, 3D-QSAR, and de novo design
    • Khedkar, S.A.; Malde, A.K.; Coutinho, E.C. Design of inhibitors of the murF enzyme of streptococcus pneumoniae using docking, 3D-QSAR, and de novo design. J. Chem. Inf. Model., 2007, 47, 1839-1846.
    • (2007) J. Chem. Inf. Model , vol.47 , pp. 1839-1846
    • Khedkar, S.A.1    Malde, A.K.2    Coutinho, E.C.3
  • 71
    • 45749088639 scopus 로고    scopus 로고
    • Receptor-based modeling and 3D-QSAR for a quantitative production of the butyrylcholinesterase inhibitors based on genetic algorithm
    • Zaheer-ul, H.; Uddin, R.; Yuan, H.; Petukhov, P.A.; Choudhary, M.I.; Madura, J. D. Receptor-based modeling and 3D-QSAR for a quantitative production of the butyrylcholinesterase inhibitors based on genetic algorithm. J. Chem. Inf. Model., 2008, 48, 1092-1103.
    • (2008) J. Chem. Inf. Model , vol.48 , pp. 1092-1103
    • Zaheer-ul, H.1    Uddin, R.2    Yuan, H.3    Petukhov, P.A.4    Choudhary, M.I.5    Madura, J.D.6
  • 72
    • 0037168055 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship of 1,4-Dihydropyridines as anti-tubercular agents
    • Kharkar, P.S.; Desai, B.; Gaveria, H.; Varu, B.; Loriya, R.; Naliapara, Y.; Shah, A.; Kulkarni, V.M. Three-dimensional quantitative structure-activity relationship of 1,4-Dihydropyridines as anti-tubercular agents. J. Med. Chem., 2002, 45, 4858-4867.
    • (2002) J. Med. Chem , vol.45 , pp. 4858-4867
    • Kharkar, P.S.1    Desai, B.2    Gaveria, H.3    Varu, B.4    Loriya, R.5    Naliapara, Y.6    Shah, A.7    Kulkarni, V.M.8
  • 74
    • 0037075131 scopus 로고    scopus 로고
    • A three-dimensional quantitative structure-activity relationship study of heparin-binding epidermal growth factor shedding inhibitors using comparative molecular field analysis
    • Bursi, R.; Sawa, M.; Hiramatsu, Y.; Kondo, H. A three-dimensional quantitative structure-activity relationship study of heparin-binding epidermal growth factor shedding inhibitors using comparative molecular field analysis. J. Med. Chem., 2002, 45, 781-788.
    • (2002) J. Med. Chem , vol.45 , pp. 781-788
    • Bursi, R.1    Sawa, M.2    Hiramatsu, Y.3    Kondo, H.4
  • 75
    • 1542530886 scopus 로고    scopus 로고
    • CoMFA modeling of human catechol O-Methyltransferase enzyme kinetics
    • Sipila, J.; Taskinen, J. CoMFA modeling of human catechol O-Methyltransferase enzyme kinetics, J. Chem. Inf. Comput. Sci., 2004, 44, 97-104.
    • (2004) J. Chem. Inf. Comput. Sci , vol.44 , pp. 97-104
    • Sipila, J.1    Taskinen, J.2
  • 76
    • 0027672324 scopus 로고
    • Sample-distance partial least-squares PLS optimized for many variables, with application to CoMFA
    • Bush, B.L.; Nachbar, R.B. Sample-distance partial least-squares PLS optimized for many variables, with application to CoMFA. J. Comput.-Aided Mol. Des., 1993, 7, 587-619.
    • (1993) J. Comput.-Aided Mol. Des , vol.7 , pp. 587-619
    • Bush, B.L.1    Nachbar, R.B.2
  • 77
    • 33947594207 scopus 로고    scopus 로고
    • Molecular docking and three-dimensional quantitative structure-activity relationship studies on the binding modes of herbicidal 1-(Substituted Phenoxyacetoxy) alkylphosphonates to the E1 component of pyruvate dehydrogenase
    • Peng, H.; Wang, T.; Xie, P.; Chen, T.; He, H.W.; Wan, J. Molecular docking and three-dimensional quantitative structure-activity relationship studies on the binding modes of herbicidal 1-(Substituted Phenoxyacetoxy) alkylphosphonates to the E1 component of pyruvate dehydrogenase. J. Agric. Food Chem., 2007, 55, 1871-1880.
    • (2007) J. Agric. Food Chem , vol.55 , pp. 1871-1880
    • Peng, H.1    Wang, T.2    Xie, P.3    Chen, T.4    He, H.W.5    Wan, J.6
  • 78
    • 0031753746 scopus 로고    scopus 로고
    • Comparative molecular field analysis (CoMFA) of herbicidal protoporphyrinogen oxidase inhibitors using standard steric and electrostatic fields and an alternative LUMO field
    • Durst, G.L. Comparative molecular field analysis (CoMFA) of herbicidal protoporphyrinogen oxidase inhibitors using standard steric and electrostatic fields and an alternative LUMO field. Quant. Struct.-Act. Relat., 1998, 17, 419-426.
    • (1998) Quant. Struct.-Act. Relat , vol.17 , pp. 419-426
    • Durst, G.L.1
  • 79
    • 0033652279 scopus 로고    scopus 로고
    • On the selection of the training set in environmental QSAR analysis when compounds are clustered
    • Eriksson, L.; Johansson, E.; Müller, M.; Wold, S. On the selection of the training set in environmental QSAR analysis when compounds are clustered. J. Chemo., 2000, 14, 599-616.
    • (2000) J. Chemo , vol.14 , pp. 599-616
    • Eriksson, L.1    Johansson, E.2    Müller, M.3    Wold, S.4
  • 80
    • 70350002565 scopus 로고    scopus 로고
    • Lowis, D.R. HQSAR: a new highly predictive QSAR technique. Tripos Technol. Notes, 1997, 1, 1-7.
    • Lowis, D.R. HQSAR: a new highly predictive QSAR technique. Tripos Technol. Notes, 1997, 1, 1-7.
  • 81
    • 41649094567 scopus 로고    scopus 로고
    • CoMFA and HQSAR studies on 6,7-dimethoxy-4-pyrrolidylquinazoline derivatives as phosphodiesterase10A inhibitors
    • Kulkarni, S.S.; Patel, M.R.; Talele, T.T. CoMFA and HQSAR studies on 6,7-dimethoxy-4-pyrrolidylquinazoline derivatives as phosphodiesterase10A inhibitors. Bioorg. Med. Chem., 2008, 16, 3675-3686.
    • (2008) Bioorg. Med. Chem , vol.16 , pp. 3675-3686
    • Kulkarni, S.S.1    Patel, M.R.2    Talele, T.T.3
  • 82
    • 38749090154 scopus 로고    scopus 로고
    • 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L
    • Freitas, R.F.; Oprea, T.I.; Montanari, C.A. 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L. Bioorg. Med. Chem., 2008, 16, 838-853.
    • (2008) Bioorg. Med. Chem , vol.16 , pp. 838-853
    • Freitas, R.F.1    Oprea, T.I.2    Montanari, C.A.3
  • 83
    • 36549044969 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships for a series of selective estrogen receptor-beta modulators
    • Salum, L.B.; Polikarpov, I.; Andricopulo, A.D. Quantitative structure-activity relationships for a series of selective estrogen receptor-beta modulators. SAR. QSAR Environ. Res., 2007, 18, 711-727.
    • (2007) SAR. QSAR Environ. Res , vol.18 , pp. 711-727
    • Salum, L.B.1    Polikarpov, I.2    Andricopulo, A.D.3
  • 84
    • 19944374094 scopus 로고    scopus 로고
    • Hologram quantitative structure -activity relationships for a series of farnesoid X receptor activators
    • Honorio, K.M.; Garratt, R.C.; Andricopulo, A.D. Hologram quantitative structure -activity relationships for a series of farnesoid X receptor activators. Bioorg. Med. Chem. Lett., 2005, 15, 3119-3125.
    • (2005) Bioorg. Med. Chem. Lett , vol.15 , pp. 3119-3125
    • Honorio, K.M.1    Garratt, R.C.2    Andricopulo, A.D.3
  • 85
    • 2942705823 scopus 로고    scopus 로고
    • Hologram quantitative structure activity relationship studies on 5-HT6 antagonists
    • Doddareddy, M.R.; Lee, Y.J.; Cho, Y.S.; Choi, K.I.; Koh, H.Y.; Pae, A.N. Hologram quantitative structure activity relationship studies on 5-HT6 antagonists. Bioorg. Med. Chem., 2004, 12, 3815-3824.
    • (2004) Bioorg. Med. Chem , vol.12 , pp. 3815-3824
    • Doddareddy, M.R.1    Lee, Y.J.2    Cho, Y.S.3    Choi, K.I.4    Koh, H.Y.5    Pae, A.N.6
  • 86
    • 19944374094 scopus 로고    scopus 로고
    • Hologram quantitative structure-activity relationships for a series of farnesoid X receptor activators
    • Honorio, K.M.; Garratt, R.C.; Andricopulo, A.D. Hologram quantitative structure-activity relationships for a series of farnesoid X receptor activators. Bioorg. Med. Chem. Lett., 2005, 15, 3119-3125.
    • (2005) Bioorg. Med. Chem. Lett , vol.15 , pp. 3119-3125
    • Honorio, K.M.1    Garratt, R.C.2    Andricopulo, A.D.3
  • 87
    • 33847713628 scopus 로고    scopus 로고
    • HQSAR study of betaketoacyl-acyl carrier protein synthase III (FabH) inhibitors
    • Ashek, A.; San Juan, A.A.; Cho, S.J. HQSAR study of betaketoacyl-acyl carrier protein synthase III (FabH) inhibitors. J. Enzyme Inhib. Med. Chem., 2007, 22, 7-14.
    • (2007) J. Enzyme Inhib. Med. Chem , vol.22 , pp. 7-14
    • Ashek, A.1    San Juan, A.A.2    Cho, S.J.3
  • 88
    • 35348864556 scopus 로고    scopus 로고
    • Hologram QSAR model for the prediction of human oral bioavailability
    • Moda, T.L.; Montanari, C.A.; Andricopulo, A.D. Hologram QSAR model for the prediction of human oral bioavailability. Bioorg. Med. Chem., 2007, 15, 7738-7745.
    • (2007) Bioorg. Med. Chem , vol.15 , pp. 7738-7745
    • Moda, T.L.1    Montanari, C.A.2    Andricopulo, A.D.3
  • 89
    • 2442471775 scopus 로고    scopus 로고
    • Holographic quantitative structure-activity relationship for prediction acute toxicity of benzene derivatives to the guppy (Poecilia reticulata)
    • Huang, H.; Wang, X.D.; Dai, X.L.; Yu, Y.J.; Wang, L.S. Holographic quantitative structure-activity relationship for prediction acute toxicity of benzene derivatives to the guppy (Poecilia reticulata). J. Environ. Sci., 2004, 16, 423-427.
    • (2004) J. Environ. Sci , vol.16 , pp. 423-427
    • Huang, H.1    Wang, X.D.2    Dai, X.L.3    Yu, Y.J.4    Wang, L.S.5
  • 90
    • 0141872106 scopus 로고    scopus 로고
    • Predicting toxicity of benzene derivatives by molecular hologram derived quantitative structure-activity relationships (QSARs)
    • Cui, S.; Wang, X.; Liu, S.; Wang, L. Predicting toxicity of benzene derivatives by molecular hologram derived quantitative structure-activity relationships (QSARs). SAR QSAR Environ. Res., 2003, 14, 223-231.
    • (2003) SAR QSAR Environ. Res , vol.14 , pp. 223-231
    • Cui, S.1    Wang, X.2    Liu, S.3    Wang, L.4
  • 92
    • 4644325161 scopus 로고    scopus 로고
    • Estrogen receptors as targets for drug development for breast cancer, osteoporosis and cardiovascular diseases
    • Thomas, T.; Gallo, M.A.; Thomas, T.J. Estrogen receptors as targets for drug development for breast cancer, osteoporosis and cardiovascular diseases. Curr. Cancer Drug Targets, 2004, 4, 483-499.
    • (2004) Curr. Cancer Drug Targets , vol.4 , pp. 483-499
    • Thomas, T.1    Gallo, M.A.2    Thomas, T.J.3
  • 93
    • 61749102591 scopus 로고    scopus 로고
    • A review of coumarin derivatives in pharmacotherapy of breast cancer
    • Musa, M.A.; Cooperwood, J.S.; Khan, M.O. A review of coumarin derivatives in pharmacotherapy of breast cancer. Curr. Med. Chem., 2008, 15, 2664-2679.
    • (2008) Curr. Med. Chem , vol.15 , pp. 2664-2679
    • Musa, M.A.1    Cooperwood, J.S.2    Khan, M.O.3
  • 94
    • 0034751220 scopus 로고    scopus 로고
    • Estrogen receptor and breast cancer
    • Sommer, S.; Fuqua, S.A. Estrogen receptor and breast cancer. Semin. Cancer Biol., 2001, 11, 339-352.
    • (2001) Semin. Cancer Biol , vol.11 , pp. 339-352
    • Sommer, S.1    Fuqua, S.A.2
  • 95
    • 42949125058 scopus 로고    scopus 로고
    • The role of selective estrogen receptor modulators on breast cancer: From tamoxifen to raloxifene
    • Lee, W.L.; Cheng, M.H.; Chao, H.T.; Wang, P.H. The role of selective estrogen receptor modulators on breast cancer: from tamoxifen to raloxifene. Taiwan J. Obstet. Gynecol., 2008, 47, 24-31.
    • (2008) Taiwan J. Obstet. Gynecol , vol.47 , pp. 24-31
    • Lee, W.L.1    Cheng, M.H.2    Chao, H.T.3    Wang, P.H.4
  • 99
    • 0034098360 scopus 로고    scopus 로고
    • Estrogen receptors alpha and beta: Two receptors of a kind?
    • Dechering, K.; Boersma, C.; Mosselman, S. Estrogen receptors alpha and beta: two receptors of a kind? Curr. Med. Chem., 2000, 7, 561-576.
    • (2000) Curr. Med. Chem , vol.7 , pp. 561-576
    • Dechering, K.1    Boersma, C.2    Mosselman, S.3
  • 100
    • 53749107256 scopus 로고    scopus 로고
    • Synthesis, biological evaluation, structural-activity relationship, and docking study for a series of benzoxepin-derived estrogen receptor modulators
    • Barrett, I.; Meegan, M.J.; Hughes, R.B.; Carr, M.; Knox, A.J.; Artemenko, N.; Golfis, G.; Zisterer, D.M.; Lloyd, D.G. Synthesis, biological evaluation, structural-activity relationship, and docking study for a series of benzoxepin-derived estrogen receptor modulators. Bioorg. Med. Chem., 2008, 16, 9554-9573.
    • (2008) Bioorg. Med. Chem , vol.16 , pp. 9554-9573
    • Barrett, I.1    Meegan, M.J.2    Hughes, R.B.3    Carr, M.4    Knox, A.J.5    Artemenko, N.6    Golfis, G.7    Zisterer, D.M.8    Lloyd, D.G.9
  • 101
    • 0033288007 scopus 로고    scopus 로고
    • Targeted antiestrogens for the prevention of breast cancer
    • Bentrem, D.J.; Jordan, V.C. Targeted antiestrogens for the prevention of breast cancer. Oncol. Res., 1999, 11, 401-407.
    • (1999) Oncol. Res , vol.11 , pp. 401-407
    • Bentrem, D.J.1    Jordan, V.C.2
  • 102
    • 1542346452 scopus 로고    scopus 로고
    • The use of selective estrogen receptor modulators and selective estrogen receptor down-regulators in breast cancer
    • Howell, S.J.; Johnston, S.R.; Howell, A. The use of selective estrogen receptor modulators and selective estrogen receptor down-regulators in breast cancer. Best Pract. Res. Clin. Endocrinol. Metab., 2004, 18, 47-66.
    • (2004) Best Pract. Res. Clin. Endocrinol. Metab , vol.18 , pp. 47-66
    • Howell, S.J.1    Johnston, S.R.2    Howell, A.3
  • 104
    • 50649109820 scopus 로고    scopus 로고
    • Molecular structural characteristics as determinants of estrogen receptor selectivity
    • Agatonovic-Kustrin, S.; Turner, J.V.; Glass, B.D. Molecular structural characteristics as determinants of estrogen receptor selectivity. J. Pharm. Biomed. Anal., 2008, 48, 369-375.
    • (2008) J. Pharm. Biomed. Anal , vol.48 , pp. 369-375
    • Agatonovic-Kustrin, S.1    Turner, J.V.2    Glass, B.D.3
  • 105
    • 34548223031 scopus 로고    scopus 로고
    • Structural and chemical basis for enhanced affinity and potency for a large series of estrogen receptor ligands: 2D and 3D QSAR studies
    • Salum, L.B.; Polikarpov, I.; Andricopulo, A.D. Structural and chemical basis for enhanced affinity and potency for a large series of estrogen receptor ligands: 2D and 3D QSAR studies. J. Mol. Graph. Model., 2007, 26, 434-442.
    • (2007) J. Mol. Graph. Model , vol.26 , pp. 434-442
    • Salum, L.B.1    Polikarpov, I.2    Andricopulo, A.D.3
  • 106
    • 0242577782 scopus 로고    scopus 로고
    • CoMFA and docking study of novel estrogen receptor subtype selective ligands
    • Wolohan, P.; Reichert, D.E. CoMFA and docking study of novel estrogen receptor subtype selective ligands. J. Comput. Aided Mol. Des., 2003, 17, 313-328.
    • (2003) J. Comput. Aided Mol. Des , vol.17 , pp. 313-328
    • Wolohan, P.1    Reichert, D.E.2
  • 107
    • 57649103620 scopus 로고    scopus 로고
    • Structure-based approach for the study of estrogen receptor binding affinity and subtype selectivity
    • Salum, L.B.; Polikarpov, I.; Andricopulo, A.D. Structure-based approach for the study of estrogen receptor binding affinity and subtype selectivity. J. chem. Inf. Model., 2008, 48, 2243-2253.
    • (2008) J. chem. Inf. Model , vol.48 , pp. 2243-2253
    • Salum, L.B.1    Polikarpov, I.2    Andricopulo, A.D.3
  • 108
    • 57349200447 scopus 로고    scopus 로고
    • Combining docking and comparative molecular similarity indices analysis (COMSIA) to predict estrogen activity and probe molecular mechanisms of estrogen activity for estrogen compounds
    • Yang, X.S.; Wang, X.D.; Ji, L.; Li, R.; Sun, C.; Wang, L.S. Combining docking and comparative molecular similarity indices analysis (COMSIA) to predict estrogen activity and probe molecular mechanisms of estrogen activity for estrogen compounds. Chin. Sci. Bull., 2008, 53, 3626-3633.
    • (2008) Chin. Sci. Bull , vol.53 , pp. 3626-3633
    • Yang, X.S.1    Wang, X.D.2    Ji, L.3    Li, R.4    Sun, C.5    Wang, L.S.6
  • 109
    • 0033096995 scopus 로고    scopus 로고
    • Comparative QSAR analysis of estrogen receptor ligands
    • Gao, H., Katzenellenbogen, J.A.; Garg, R.; Hansch, C. Comparative QSAR analysis of estrogen receptor ligands. Chem. Rev., 1999, 99, 723-744.
    • (1999) Chem. Rev , vol.99 , pp. 723-744
    • Gao, H.1    Katzenellenbogen, J.A.2    Garg, R.3    Hansch, C.4
  • 110
    • 0037135124 scopus 로고    scopus 로고
    • Role of preoptic second messenger systems (cAMP and cGMP) in the febrile response
    • Steiner, A.A.; Antunes-Rodrigues, J.; Branco, L.G.S. Role of preoptic second messenger systems (cAMP and cGMP) in the febrile response. Brain Res., 2002, 944, 135-145.
    • (2002) Brain Res , vol.944 , pp. 135-145
    • Steiner, A.A.1    Antunes-Rodrigues, J.2    Branco, L.G.S.3
  • 111
    • 0023938335 scopus 로고
    • The adenylate cyclase-cAMP-protein kinase A pathway and regulation of the immune response
    • Kammer, G.M. The adenylate cyclase-cAMP-protein kinase A pathway and regulation of the immune response. Immunol. Today, 1988, 9, 222-229.
    • (1988) Immunol. Today , vol.9 , pp. 222-229
    • Kammer, G.M.1
  • 112
    • 33847083870 scopus 로고    scopus 로고
    • Type 5 phosphodiesterase inhibitors in the treatment of erectile dysfunction and cardiovascular disease
    • Ravipati, G.; McClung, J.A.; Aronow, W.S.; Peterson, S.J.; Frishman, W.H. Type 5 phosphodiesterase inhibitors in the treatment of erectile dysfunction and cardiovascular disease. Cardiol. Rev., 2007, 15, 76-86.
    • (2007) Cardiol. Rev , vol.15 , pp. 76-86
    • Ravipati, G.1    McClung, J.A.2    Aronow, W.S.3    Peterson, S.J.4    Frishman, W.H.5
  • 114
    • 33644811309 scopus 로고    scopus 로고
    • Phosphodiesterase inhibitors in airways diseases
    • Chung K.F. Phosphodiesterase inhibitors in airways diseases. Eur. J. Pharmacol., 2006, 533, 110-117.
    • (2006) Eur. J. Pharmacol , vol.533 , pp. 110-117
    • Chung, K.F.1
  • 115
    • 34248158320 scopus 로고    scopus 로고
    • Phosphodiesterases regulate airway smooth muscle function in health and disease
    • Krymskaya, V.P.; Panettieri, R.A. Jr. Phosphodiesterases regulate airway smooth muscle function in health and disease. Curr. Top Dev. Biol., 2007, 79, 61-74.
    • (2007) Curr. Top Dev. Biol , vol.79 , pp. 61-74
    • Krymskaya, V.P.1    Panettieri Jr., R.A.2
  • 116
    • 0032004153 scopus 로고    scopus 로고
    • Effects of a selective PDE4 inhibitor, D-22888, on human airways and eosinophils in vitro and late phase allergic pulmonary eosinophilia in guinea pigs
    • Dent, G.; Poppe, H.; Egerland, J.; Marx, D.; Szelenyi, I.; Branscheid, D.; Magnussen, H.; Rabe, K.F. Effects of a selective PDE4 inhibitor, D-22888, on human airways and eosinophils in vitro and late phase allergic pulmonary eosinophilia in guinea pigs. Pulm. Pharmacol. Ther., 1998, 11, 13-21.
    • (1998) Pulm. Pharmacol. Ther , vol.11 , pp. 13-21
    • Dent, G.1    Poppe, H.2    Egerland, J.3    Marx, D.4    Szelenyi, I.5    Branscheid, D.6    Magnussen, H.7    Rabe, K.F.8
  • 117
    • 10644253750 scopus 로고    scopus 로고
    • Phosphodiesterase 4-selective inhibition: Novel therapy for the inflammation of COPD
    • Jeffery, P. Phosphodiesterase 4-selective inhibition: novel therapy for the inflammation of COPD. Pulm. Pharmacol. Ther., 2005, 18, 9-17.
    • (2005) Pulm. Pharmacol. Ther , vol.18 , pp. 9-17
    • Jeffery, P.1
  • 118
    • 4444330207 scopus 로고    scopus 로고
    • The potential of PDE4 inhibitors in respiratory disease
    • Spina, D. The potential of PDE4 inhibitors in respiratory disease. Curr. Drug Targets Inflamm. Allergy, 2004, 3, 231-236.
    • (2004) Curr. Drug Targets Inflamm. Allergy , vol.3 , pp. 231-236
    • Spina, D.1
  • 119
    • 37049002026 scopus 로고    scopus 로고
    • Docking and 3-D QSAR studies of dual PDE4-PDE7 inhibitors
    • Kang, N.S.; Jhon, D.J.; Song, J.H.; Yoo, S.E. Docking and 3-D QSAR studies of dual PDE4-PDE7 inhibitors. Mol. Simulat., 2007, 33, 1109-1117.
    • (2007) Mol. Simulat , vol.33 , pp. 1109-1117
    • Kang, N.S.1    Jhon, D.J.2    Song, J.H.3    Yoo, S.E.4
  • 120
    • 34547614607 scopus 로고    scopus 로고
    • 3D-QSAR study of Potent Inhibitor of Phosphodiesterase-4 by using CoMFA approach
    • Yang, Z.Q.; Sun, P.H. 3D-QSAR study of Potent Inhibitor of Phosphodiesterase-4 by using CoMFA approach. Int. J. Mol. Sci., 2007, 8, 714-722.
    • (2007) Int. J. Mol. Sci , vol.8 , pp. 714-722
    • Yang, Z.Q.1    Sun, P.H.2
  • 121
  • 122
    • 0035207622 scopus 로고    scopus 로고
    • CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IV
    • Ducrot, P.; Andrianjara, C.R.; Wrigglesworth, R. CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IV. J. Comput. Aided Mol. Des., 2001, 15, 767-785.
    • (2001) J. Comput. Aided Mol. Des , vol.15 , pp. 767-785
    • Ducrot, P.1    Andrianjara, C.R.2    Wrigglesworth, R.3
  • 124
    • 33746079592 scopus 로고    scopus 로고
    • CoMFA and CoMSIA investigations of dopamine D3 receptor ligands leading to the prediction, synthesis, and evaluation of rigidized FAUC 365 analogues
    • Salama, I.; Schlotter, K.; Utz, W.; Hübner, H.; Gmeiner P.; Boeckler F. CoMFA and CoMSIA investigations of dopamine D3 receptor ligands leading to the prediction, synthesis, and evaluation of rigidized FAUC 365 analogues. Bioorg. Med. Chem., 2006, 14, 5898-5912.
    • (2006) Bioorg. Med. Chem , vol.14 , pp. 5898-5912
    • Salama, I.1    Schlotter, K.2    Utz, W.3    Hübner, H.4    Gmeiner, P.5    Boeckler, F.6


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