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Lin, C.T., Pavlik, P.A. and Martin, Y.C., Use of molecular fields to compare series of potentially bioactive molecules designed by scientists or by computer, Tetrahed. Comput. Methodol., 3 (1990) 723–738.
Wermuth, C.-G. and Langer. T., Pharmacophore identification, In Kubinyi, H. (Ed.) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp. 117–136.
Horwitz, J.P., Massova, I., Wiese, T.E., Besler, B.H. and Corbett, T.H., Comparative molecular field analysis of the antitumor activity of VH-thioxanthen-9-one derivatives against pancreatic ductal carcinoma 03, J. Med. Chem., 37 (1994) 781–786.
Kim, K.H. and Martin, Y.C., Direct prediction of linear free energy substituent effects from 3D structures using comparative molecular field analysis: I. Electronic effects oj substituted benzoic acids, J. Org. Chem., 56 (1991) 2723–2729.
Marshall. G.R., Binding-site modeling of unknown receptors, In Kubinyi, H. (Ed.) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands. 1993, pp. 80–116.
Klebe, G., Structural alignment of molecules, In Kubinyi, H. (Ed.) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp. 173–199.
Golender, V.E. and Vorpagel, E.R., Computer-assisted pharmacophore identification, In Kubinyi, H. (Ed.) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp. 137–149.
Yliniemela, A., Konschin, H., Neagu, C., Pajunen, A.. Hase, T., Brunow, G. and Teleman, O., Design and synthesis of a transition state analog for the ene reaction between maleimide and 1-alkenes, J. Am. Chem. Soc., 117 (1995) 5120–5126.
Itai, A., Tomioka, N., Yamada, M., Inoue, A. and Kato, Y., Molecular superposition for rational drug design, In Kubinyi, H. (Ed.) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp. 200–225.
Martin, Y.C., Bures, M.G., Danaher, E.A., DeLazzer, J., Lico, I. and Pavlik, P.A., A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists, J. Comput.-Aid. Mol. Design, 7 (1993) 83–102.
Greco, G., Novellino, E., Silipo, C. and Vittoria, A., Study of benzodiazepines receptor sites using a combined QSAR-CoMFA approach, Quant. Struct.-Act. Relat., 11 (1992) 461–477.
Cramer III, R.D., Patterson, D.E. and Bunce, J.D., Comparative molecular field analysis (CoMFA): 1. Effect of shape on binding of steroids to carrier proteins, J. Am. Chem. Soc., 110 (1988) 5959–5967.
Mattos, C., Rasmussen, B., Ding, X., Petsko, G.A. and Ringe, D., Analogous inhibitors of elastase do not always bind analogously, Nature Struct. Biol., 1 (1994) 55–58.
Mattos, C., Ringe, D., Multiple binding modes, In Kubinyi, H. (Ed.) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp. 226–254.
Martin, Y.C., Lin, C.T. and Wu, J., Application of CoMFA to D1 dopaminergic agonists: A case study, In Kubinyi, H. (Ed.) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp. 643–660.
Kuipers, W., van Wijngaaden, I. and Ijzerman, A.P., A model of the serotonin 5-HT1A receptor: Agonist and antagonist binding sites, Drug Des. Discuss., 11 (1994) 231–249.
Kubinyi, H., QSAR: Hansch analysis and related approaches, VCH, Weinheim, Germany, 1993.
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Kim, K.H., Greco, G., Novellino, E. (1998). A Critical Review of Recent CoMFA Applications. In: Kubinyi, H., Folkers, G., Martin, Y.C. (eds) 3D QSAR in Drug Design. Three-Dimensional Quantitative Structure Activity Relationships, vol 3. Springer, Dordrecht. https://doi.org/10.1007/0-306-46858-1_16
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DOI: https://doi.org/10.1007/0-306-46858-1_16
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