메뉴 건너뛰기




Volumn 8, Issue 3-4, 1998, Pages 195-232

Comparison of Benzodiazepine-Like Compounds Using Topological Analysis and Genetic Algorithms

Author keywords

genetic algorithms; graph comparison; pharmacophore elucidation; Three dimensional electron density; topological analysis

Indexed keywords

ELECTRON DENSITY MEASUREMENT;

EID: 0031601522     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629369808039141     Document Type: Article
Times cited : (15)

References (37)
  • 1
    • 11644328584 scopus 로고
    • Systematic Analysis of Structural Data as a Research Technique in Organic Chemistry
    • Allen, F. H., Kennard, O., and Taylor, R., 1983. Systematic Analysis of Structural Data as a Research Technique in Organic Chemistry. Acć. Chem. Res., 16: 146–153.
    • (1983) Acć. Chem. Res. , vol.16 , pp. 146-153
    • Allen, F.H.1    Kennard, O.2    Taylor, R.3
  • 2
    • 0022574416 scopus 로고
    • The Peripheral-Type Benzodiazepine Receptor - Localization to the Mitochondrial Outer Membrane
    • Anholt, R. R. H., Pedersen, P. L., De Souza, E. B., and Snyder, S. H., 1986. The Peripheral-Type Benzodiazepine Receptor - Localization to the Mitochondrial Outer Membrane. J. Biol. Chem., 261: 576–583.
    • (1986) J. Biol. Chem. , vol.261 , pp. 576-583
    • Anholt, R.R.H.1    Pedersen, P.L.2    De Souza, E.B.3    Snyder, S.H.4
  • 4
    • 0027333450 scopus 로고
    • A 3D Model of the Peripheral Benzodiazepine Receptor and its Implication in Intra Mitochondrial Cholesterol Transport
    • Bernassau, J. M., Reversat, J. L., Ferrara, P., Caput, D., and Lefur, G., 1993. A 3D Model of the Peripheral Benzodiazepine Receptor and its Implication in Intra Mitochondrial Cholesterol Transport. J. Mol. Graphics, 1: 235–244.
    • (1993) J. Mol. Graphics , vol.1 , pp. 235-244
    • Bernassau, J.M.1    Reversat, J.L.2    Ferrara, P.3    Caput, D.4    Lefur, G.5
  • 7
    • 0001916915 scopus 로고
    • Endogenous and Synthetic Ligands of Mitochondrial Benzodiazepine Receptors: Structure-Affinity Relationships
    • Giesen-Crouse E., (ed), London: Academic Press,. Edited by
    • Bourguignon, J.-J., 1993. “Endogenous and Synthetic Ligands of Mitochondrial Benzodiazepine Receptors: Structure-Affinity Relationships”. In Peripheral Benzodiazepine Receptors, Edited by: Giesen-Crouse, E., 59–85. London: Academic Press.
    • (1993) Peripheral Benzodiazepine Receptors , pp. 59-85
    • Bourguignon, J.-J.1
  • 9
    • 0015503526 scopus 로고
    • Stereochemical Basis of Anticonvulsant Drug Action. II. Molecular Structure of Diazepam
    • Camerman, A., and Camerman, N., 1972. Stereochemical Basis of Anticonvulsant Drug Action. II. Molecular Structure of Diazepam. J. Am. Chem. Soc., 94: 268–272.
    • (1972) J. Am. Chem. Soc. , vol.94 , pp. 268-272
    • Camerman, A.1    Camerman, N.2
  • 11
    • 0022342426 scopus 로고
    • Molecular Structure of Ro15–1788 and a Model for the Binding of Benzodiazepine Receptor Ligands
    • Codding, P. W., and Muir, A. K. S., 1985. Molecular Structure of Ro15–1788 and a Model for the Binding of Benzodiazepine Receptor Ligands. Molec. Pharmacol., 28: 178–184.
    • (1985) Molec. Pharmacol. , vol.28 , pp. 178-184
    • Codding, P.W.1    Muir, A.K.S.2
  • 12
    • 0000381846 scopus 로고    scopus 로고
    • Genetic Algorithms in Computer-Aided Molecular Design
    • Devillers J., (ed), London: Academic Press,. Edited by
    • Devillers, J., 1996. “Genetic Algorithms in Computer-Aided Molecular Design”. In Genetic Algorithms in Molecular Modeling, Edited by: Devillers, J., 1–34. London: Academic Press.
    • (1996) Genetic Algorithms in Molecular Modeling , pp. 1-34
    • Devillers, J.1
  • 17
    • 0000540642 scopus 로고
    • Quantitative Structure-Activity Relationships of the Benzodiazepines. A Review and Reevaluation
    • Hadjipavlou-Litina, D., and Hansch, C., 1994. Quantitative Structure-Activity Relationships of the Benzodiazepines. A Review and Reevaluation. Chem. Rev., 24: 1483–1505.
    • (1994) Chem. Rev. , vol.24 , pp. 1483-1505
    • Hadjipavlou-Litina, D.1    Hansch, C.2
  • 18
    • 0001205063 scopus 로고
    • Structure and Function of the Benzodiazepine Receptor
    • Haefely, W. E., 1987. Structure and Function of the Benzodiazepine Receptor. CHIMIA, 41: 389–396.
    • (1987) CHIMIA , vol.41 , pp. 389-396
    • Haefely, W.E.1
  • 19
    • 0003655672 scopus 로고
    • Hall S.R., Stewart J.M., (eds), Perth: Universities of Western Australia and Maryland, and, Edited by
    • Hall, S. R., and Stewart, J. M., 1990. Xtal 3.0, Reference Manual, Edited by: Hall, S. R., and Stewart, J. M., 408Perth: Universities of Western Australia and Maryland.
    • (1990) Xtal 3.0, Reference Manual , pp. 408
    • Hall, S.R.1    Stewart, J.M.2
  • 20
    • 0023270582 scopus 로고
    • Benzodiazepine Stereochemistry: Crystal Structures of the Diazepam Antagonist Ro 15–1788 and the Anomalous Benzodiazepine Ro 5–4864
    • Hempel, A., Camerman, N., and Camerman, A., 1987. Benzodiazepine Stereochemistry: Crystal Structures of the Diazepam Antagonist Ro 15–1788 and the Anomalous Benzodiazepine Ro 5–4864. Can. J. Chem., 65: 1608–1612.
    • (1987) Can. J. Chem. , vol.65 , pp. 1608-1612
    • Hempel, A.1    Camerman, N.2    Camerman, A.3
  • 24
    • 0028001918 scopus 로고
    • Molecular Scene Analysis: Application of a Topological Approach to the Automated Interpretation of Protein Electron Density Maps
    • Leherte, L., Fortier, S., Glasgow, J., and Allen, F. H., 1994. Molecular Scene Analysis: Application of a Topological Approach to the Automated Interpretation of Protein Electron Density Maps. Acta Cryst., D50: 155–166.
    • (1994) Acta Cryst. , vol.500 , pp. 155-166
    • Leherte, L.1    Fortier, S.2    Glasgow, J.3    Allen, F.H.4
  • 25
    • 1542776168 scopus 로고
    • Interactive Flexible Molecular Fitting Program to be Integrated into Computer-Aided Molecular Modelling Systems
    • Lejeune, J., Michel, A. G., and Vercauteren, D. P., 1986. Interactive Flexible Molecular Fitting Program to be Integrated into Computer-Aided Molecular Modelling Systems. J. Mol. Graphics, 4: 194–199.
    • (1986) J. Mol. Graphics , vol.4 , pp. 194-199
    • Lejeune, J.1    Michel, A.G.2    Vercauteren, D.P.3
  • 26
    • 0003019648 scopus 로고    scopus 로고
    • An Overview of Genetic Methods
    • Devillers J., (ed), London: Academic Press,. Edited by
    • Luke, B. T., 1996. “An Overview of Genetic Methods”. In Genetic Algorithms in Molecular Modeling, Edited by: Devillers, J., 35–66. London: Academic Press.
    • (1996) Genetic Algorithms in Molecular Modeling , pp. 35-66
    • Luke, B.T.1
  • 27
    • 84951798015 scopus 로고    scopus 로고
    • Development of a Genetic Algorithm Especially Designed for the Comparison of Molecular Models: Application to the Elucidation of the Benzodazepine Receptor Pharmacophore
    • van de Waterbeemd H., Testa B., Folkers G., (eds), Basel: Verlag Helvetica Chimica Acta (VHCA), and,. Edited by
    • Meurice, N., Leherte, L., Vercauteren, D. P., Bourguignon, J.-J., and Wermuth, C. G., 1997a. “Development of a Genetic Algorithm Especially Designed for the Comparison of Molecular Models: Application to the Elucidation of the Benzodazepine Receptor Pharmacophore”. In Computer-Assisted Lead Finding and Optimization, Edited by: van de Waterbeemd, H., Testa, B., and Folkers, G., 497–510. Basel: Verlag Helvetica Chimica Acta (VHCA).
    • (1997) Computer-Assisted Lead Finding and Optimization , pp. 497-510
    • Meurice, N.1    Leherte, L.2    Vercauteren, D.P.3    Bourguignon, J.-J.4    Wermuth, C.G.5
  • 29
    • 0001686231 scopus 로고    scopus 로고
    • A Comparison of a Direct Search Method and a Genetic Algorithm for Conformational Searching
    • Meza, J. C., Judson, R. S., Faulkner, T. R., and Treasurywala, A. M., 1996. A Comparison of a Direct Search Method and a Genetic Algorithm for Conformational Searching. J. Comput. Chem., 17: 1142–1151.
    • (1996) J. Comput. Chem. , vol.17 , pp. 1142-1151
    • Meza, J.C.1    Judson, R.S.2    Faulkner, T.R.3    Treasurywala, A.M.4
  • 30
    • 0008182691 scopus 로고
    • 3D Molecular Similarity Modelling in Computational Drug Design. In, Molecular Similarity and Reactivity
    • Carbo R., (ed), Dordrecht: Kluwer Academic,. Edited by
    • Rohrer, D. C., 1995. “3D Molecular Similarity Modelling in Computational Drug Design. In, Molecular Similarity and Reactivity”. In From Quantum Chemical to Phenomenological Approaches, Edited by: Carbo, R., 141–161. Dordrecht: Kluwer Academic.
    • (1995) From Quantum Chemical to Phenomenological Approaches , pp. 141-161
    • Rohrer, D.C.1
  • 31
    • 0029271228 scopus 로고
    • Using a Genetic Algorithm to Suggest Combinatorial Libraries
    • Sheridan, R. P., and Kearsley, S. K., 1995. Using a Genetic Algorithm to Suggest Combinatorial Libraries. J. Chem. Inf. Comput. Sci., 35: 310–320.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 310-320
    • Sheridan, R.P.1    Kearsley, S.K.2
  • 32
    • 0017614063 scopus 로고
    • Benzodiazepine Receptors in Rat Brain
    • Squires, R. F., and Braestrup, C., 1977. Benzodiazepine Receptors in Rat Brain. Nature, 266: 732–734.
    • (1977) Nature , vol.266 , pp. 732-734
    • Squires, R.F.1    Braestrup, C.2
  • 33
    • 0023891659 scopus 로고
    • 6-(Alkylamino)-3-aryl-1,2,4-triazolo[3,4-c]phtalazines. A New Class of Benzodiazepine Receptor Ligands
    • Tarzia, G., Occelli, E., Toja, E., Barone, D., Corsico, N., Gallico, L., and Luzzani, F., 1988. 6-(Alkylamino)-3-aryl-1,2,4-triazolo[3,4-c]phtalazines. A New Class of Benzodiazepine Receptor Ligands. J. Med. Chem., 31: 1115–1123.
    • (1988) J. Med. Chem. , vol.31 , pp. 1115-1123
    • Tarzia, G.1    Occelli, E.2    Toja, E.3    Barone, D.4    Corsico, N.5    Gallico, L.6    Luzzani, F.7
  • 34
    • 0023380806 scopus 로고
    • The Active Analog Approach Applied to the Pharmacophore Identification of Benzodiazepine Receptor Ligands
    • Tebib, S., Bourguignon, J.-J., and Wermuth, C. G., 1987. The Active Analog Approach Applied to the Pharmacophore Identification of Benzodiazepine Receptor Ligands. J. Comp. Aid. Mol. Design, 1: 153–170.
    • (1987) J. Comp. Aid. Mol. Design , vol.1 , pp. 153-170
    • Tebib, S.1    Bourguignon, J.-J.2    Wermuth, C.G.3
  • 35
    • 85206122612 scopus 로고
    • When There is no Receptor Crystal Structure: Building Useful Models of Receptor Sites
    • Walters, D. E., 1995. When There is no Receptor Crystal Structure: Building Useful Models of Receptor Sites. Network Science, 1
    • (1995) Network Science , vol.1
    • Walters, D.E.1
  • 36
    • 0028030875 scopus 로고
    • Genetically Evolved Receptor Models: A Computational Approach to Construction of Receptor Models
    • Walters, D. E., and Hinds, E. M., 1994. Genetically Evolved Receptor Models: A Computational Approach to Construction of Receptor Models. J. Med. Chem., 37: 2527–2536.
    • (1994) J. Med. Chem. , vol.37 , pp. 2527-2536
    • Walters, D.E.1    Hinds, E.M.2
  • 37
    • 0004083367 scopus 로고    scopus 로고
    • Genetically Evolved Receptor Models (GERM): A Procedure for Construction of Atomic-Level Receptor Site Models in the Absence of a Receptor Crystal Structure
    • Devillers J., (ed), London: Academic Press, and,. Edited by
    • Walters, D. E., and Muhammad, T. D., 1996. “Genetically Evolved Receptor Models (GERM): A Procedure for Construction of Atomic-Level Receptor Site Models in the Absence of a Receptor Crystal Structure”. In Genetic Algorithms in Molecular Modeling, Edited by: Devillers, J., 193–210. London: Academic Press.
    • (1996) Genetic Algorithms in Molecular Modeling , pp. 193-210
    • Walters, D.E.1    Muhammad, T.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.